q Son Heung-min Returns as National Team Faces Kuwait, Palestine in World Cup Qualifiers By world.kbs.co.kr Published On :: Mon, 04 Nov 2024 15:51:08 +0900 [Sports] : The men’s national football team is set to face Kuwait and Palestine in mid-November in the third round of 2026 FIFA World Cup qualifiers with the return of captain Son Heung-min, who sat out matches in October due to a hamstring injury. Head coach Hong Myung-bo announced the 26-member roster on Monday, ...[more...] Full Article Sports
q Quarantine Agency Develops Differential Diagnosis Technology for Lumpy Skin Disease By world.kbs.co.kr Published On :: Wed, 25 Sep 2024 16:57:36 +0900 [Science] : The Animal and Plant Quarantine Agency says it has developed, for the first time in the world, a differential diagnosis technology for lumpy skin disease(LSD), a viral disease that affects cattle. With the technology, jointly developed with Median Diagnostics, it can be determined within eight hours if a ...[more...] Full Article Science
q Most Racist Countries in the World: A Global Look at Inequality By people.howstuffworks.com Published On :: Wed, 06 Nov 2024 10:15:03 -0500 Assessing racial equity globally is complex, involving policies, cultural attitudes and systemic issues that impact minority communities differently across regions. Full Article
q Nobel Literature Prize Goes to S. Korean Han Kang for "Intense Poetic Prose" By world.kbs.co.kr Published On :: Fri, 11 Oct 2024 11:46:52 +0900 [Culture] : Anchor: South Korean author Han Kang has won the 2024 Nobel Prize in Literature. The Swedish Academy made the announcement Thursday, and Han became the second South Korean ever to win a Nobel Prize and the first to attain the honor in literature. Kim Bum-soo has more. Report: South Korean writer Han ...[more...] Full Article Culture
q What's the Difference Between Liquor and Liqueur? By recipes.howstuffworks.com Published On :: Tue, 20 Feb 2024 18:42:02 -0500 Liquor and liqueur are spelled so similarly, it's easy to confuse them for being the same. But they're not. So how are they different? Full Article
q Quartz vs. Granite: Which Countertops Are More Durable? By home.howstuffworks.com Published On :: Tue, 13 Feb 2024 11:51:51 -0500 If you're in the process of choosing countertop materials for your kitchen or bathroom, you already know two of the most popular options are quartz and granite countertops. Full Article
q Quartz vs. Granite: Which Countertops Are More Durable? By home.howstuffworks.com Published On :: Mon, 29 Apr 2024 14:16:11 -0400 If you're in the process of choosing countertop materials for your kitchen or bathroom, you already know two of the most popular options are quartz and granite countertops. Full Article
q Lena Park Drops New EP "Stay With Me" By world.kbs.co.kr Published On :: 2024-07-11 Singer Lena Park released her new EP "Stay With Me."The album was dropped at six p.m. Thursday, according to the singer's management Bonboo Entertainment."Stay With Me" is Park's first album...[more...] Full Article
q K-Idol's Workout Routine! "I hate leg day!" By world.kbs.co.kr Published On :: 2024-10-14 +09:00 On this week's episode of I Feel You, DJ Hyerim and NVee dive into their fitness routines, sharing the secrets behind staying in shape and the complicated relationships with personal trainers....[more...] Full Article Economy&It
q NVee Meets Xander, the Self-proclaimed "Kkondae" SBN By world.kbs.co.kr Published On :: 2024-11-11 +09:00 Get ready for an unforgettable first encounter! This week on I Feel You, our regular NVee meets special DJ Xander—the ultimate non-kkondae idol sbn! From hilarious icebreakers to shared stories...[more...] Full Article Economy&It
q What Makes Virgo Men So Unique? Zodiac Insights By entertainment.howstuffworks.com Published On :: Fri, 08 Nov 2024 05:15:02 -0500 Explore Virgo men's traits, compatibility, and relationship dynamics. Learn what makes a Virgo man unique in love and if he's the right zodiac match for you. Full Article
q Emotional Cancer Meets Free-Spirited Aquarius: Compatibility Breakdown By entertainment.howstuffworks.com Published On :: Fri, 08 Nov 2024 05:30:03 -0500 Discover the compatibility between Cancer and Aquarius in love, friendship, and relationships. Learn how their emotional and intellectual traits align or clash. Full Article
q Aquarius Moon Traits: Understanding the Emotional Landscape By entertainment.howstuffworks.com Published On :: Sat, 09 Nov 2024 05:30:03 -0500 Explore the Aquarius Moon's traits, emotional depth, and how it influences relationships, creativity, and personal growth in astrology. Unlock its mysterious power. Full Article
q Is Aquarius Woman Creative or Logical? Understanding Her Unique Mind By entertainment.howstuffworks.com Published On :: Sun, 10 Nov 2024 05:30:03 -0500 Is Aquarius woman unique? Discover her free-spirited personality, loyalty in friendship, innovative mindset, and how she navigates love and relationships. Full Article
q What Happens in Aquarius Season? A Deep Dive Into Its Cosmic Influence By entertainment.howstuffworks.com Published On :: Mon, 11 Nov 2024 05:00:04 -0500 Explore Aquarius Season's unique energy, from innovation to social connection. Learn how this zodiac period influences creativity, relationships, and self-expression. Full Article
q Gemini vs. Capricorn: What Makes Their Relationship Unique? By entertainment.howstuffworks.com Published On :: Tue, 12 Nov 2024 05:15:03 -0500 Is Gemini and Capricorn compatibility strong? Discover the unique dynamics, strengths, and challenges that Gemini and Capricorn face in love, friendship, and beyond. Full Article
q KOSDAQ Falls below 700 for First Time in 2 Months By world.kbs.co.kr Published On :: Wed, 13 Nov 2024 11:20:48 +0900 [Economy] : South Korea’s tech-laden KOSDAQ fell below the 700 mark during trading for the first time in two months. As of 10:12 a.m. Wednesday, the secondary KOSDAQ market stood at 697-point-94, down 12-point-58 points or one-point-77 percent from the previous day. It marks the first time the KOSDAQ has ...[more...] Full Article Economy
q Small earthquake detected on Shropshire-Staffordshire border - BBC.com By news.google.com Published On :: Fri, 19 Apr 2024 07:00:00 GMT Small earthquake detected on Shropshire-Staffordshire border BBC.com Full Article
q Earthquake hits Midlands as British Geological Survey confirm magnitude - Birmingham Live By news.google.com Published On :: Fri, 19 Apr 2024 07:00:00 GMT Earthquake hits Midlands as British Geological Survey confirm magnitude Birmingham Live Full Article
q Equality, diversity and inclusion at BGS - British Geological Survey By news.google.com Published On :: Wed, 23 Sep 2020 16:28:24 GMT Equality, diversity and inclusion at BGS British Geological Survey Full Article
q Did you feel the earth move? Mini-earthquake recorded on Shropshire/Staffordshire border - Express & Star By news.google.com Published On :: Mon, 14 Oct 2024 07:00:00 GMT Did you feel the earth move? Mini-earthquake recorded on Shropshire/Staffordshire border Express & Star Full Article
q BGS breaks ground on geothermal heating system in Keyworth HQ, UK - ThinkGeoEnergy - Geothermal Energy News By news.google.com Published On :: Tue, 05 Mar 2024 08:00:00 GMT BGS breaks ground on geothermal heating system in Keyworth HQ, UK ThinkGeoEnergy - Geothermal Energy News Full Article
q Small earthquake recorded under Powys town - Powys County Times By news.google.com Published On :: Sun, 29 Sep 2024 07:00:00 GMT Small earthquake recorded under Powys town Powys County Times Full Article
q Quake it off: Taylor Swift concerts shake Edinburgh - British Geological Survey By news.google.com Published On :: Thu, 13 Jun 2024 07:00:00 GMT Quake it off: Taylor Swift concerts shake Edinburgh British Geological Survey Full Article
q Optimizing crucible geometry to improve the quality of AlN crystals by the physical vapor transport method By journals.iucr.org Published On :: The growth quality of AlN single crystals was improved by optimizing the crucible structure for Al vapor transport with the help of finite element simulation. Full Article text
q Real-time analysis of liquid-jet sample-delivery stability for an X-ray free-electron laser using machine vision By journals.iucr.org Published On :: This paper describes real-time statistical analysis of liquid jet images for SFX experiments at the European XFEL. This analysis forms one part of the automated jet re-alignment system for SFX experiments at the SPB/SFX instrument of European XFEL. Full Article text
q Optimal operation guidelines for direct recovery of high-purity precursor from spent lithium-ion batteries: hybrid operation model of population balance equation and data-driven classifier By journals.iucr.org Published On :: This study proposes an operation optimization framework for impurity-free recycling of spent lithium-ion batteries. Using a hybrid population balance equation integrated with a data-driven condition classifier, the study firstly identifies the optimal batch and semi-batch operation conditions that significantly reduce the operation time with 100% purity of product; detailed guidelines are given for industrial applications. Full Article text
q Advanced EXAFS analysis techniques applied to the L-edges of the lanthanide oxides By journals.iucr.org Published On :: The L-edge EXAFS of the entire set of lanthanide oxides were collected and modeled, taking into consideration the aggregation of inequivalent absorbing sites, geometric parameterization of the crystal lattice and multielectron excitation removal. Full Article text
q Optimizing crucible geometry to improve the quality of AlN crystals by the physical vapor transport method By journals.iucr.org Published On :: 2024-10-16 In the conventional crucible structure for AlN crystal growth by physical vapor transport, owing to the long molecular transport path of Al vapor and the disruption of the gas flow by the presence of a deflector, the Al vapor easily forms polycrystals in the growth domain. The result is increased internal stress in the crystals and increased difficulty in growing large-sized crystals. On this basis, with the help of finite element simulations, a novel crucible structure is designed. This crucible not only optimizes the gas transport but also increases the radial gradient of the AlN crystal surface, making the enhanced growth rate in the central region more obvious. The thermal stresses between the deflector and the crystal are also reduced. High-quality AlN crystals with an FWHM of 79 arcsec were successfully grown with this structure, verifying the accuracy of finite element simulation of the growth of AlN crystals. Our work has important guiding significance for the growth of high-quality AlN crystals. Full Article text
q Structure of face-centred icosahedral quasicrystals with cluster close packing By journals.iucr.org Published On :: 2024-09-30 A 6D structure model for face-centred icosahedral quasicrystals consisting of so-called pseudo-Mackay and mini-Bergman-type atomic clusters is proposed based on the structure model of the Al69.1Pd22Cr2.1Fe6.8 3/2 cubic approximant crystal (with space group Pa3, a = 40.5 Å) [Fujita et al. (2013). Acta Cryst. A69, 322–340]. The cluster centres form an icosahedral close sphere packing generated by the occupation domains similar to those in the model proposed by Katz & Gratias [J. Non-Cryst. Solids (1993), 153–154, 187–195], but their size is smaller by a factor τ2 [τ = (1 + (5)1/2)/2]. The clusters cover approximately 99.46% of the atomic structure, and the cluster arrangement exhibits 15 and 19 different local configurations, respectively, for the pseudo-Mackay and mini-Bergman-type clusters. The occupation domains that generate cluster shells are modelled and discussed in terms of structural disorder and local reorganization of the cluster arrangements (phason flip). Full Article text
q An alternative method to the Takagi–Taupin equations for studying dark-field X-ray microscopy of deformed crystals By journals.iucr.org Published On :: 2024-09-26 This study introduces an alternative method to the Takagi–Taupin equations for investigating the dark-field X-ray microscopy (DFXM) of deformed crystals. In scenarios where dynamical diffraction cannot be disregarded, it is essential to assess the potential inaccuracies of data interpretation based on the kinematic diffraction theory. Unlike the Takagi–Taupin equations, this new method utilizes an exact dispersion relation, and a previously developed finite difference scheme with minor modifications is used for the numerical implementation. The numerical implementation has been validated by calculating the diffraction of a diamond crystal with three components, wherein dynamical diffraction is applicable to the first component and kinematic diffraction pertains to the remaining two. The numerical convergence is tested using diffraction intensities. In addition, the DFXM image of a diamond crystal containing a stacking fault is calculated using the new method and compared with the experimental result. The new method is also applied to calculate the DFXM image of a twisted diamond crystal, which clearly shows a result different from those obtained using the Takagi–Taupin equations. Full Article text
q Combination of XEOL, TR-XEOL and HB-T interferometer at the TPS 23A X-ray nanoprobe for exploring quantum materials By journals.iucr.org Published On :: 2024-01-19 In this study, a combination of X-ray excited optical luminescence (XEOL), time-resolved XEOL (TR-XEOL) and the Hanbury-Brown and Twiss (HB-T) interferometer at the Taiwan Photon Source (TPS) 23A X-ray nanoprobe beamline for exploring quantum materials is demonstrated. On the basis of the excellent spatial resolution rendered using a nano-focused beam, emission distributions of artificial micro-diamonds can be obtained by XEOL maps, and featured emission peaks of a selected local area can be obtained by XEOL spectra. The hybrid bunch mode of the TPS not only provides a sufficiently high peak power density for experiments at each beamline but also permits high-quality temporal domain (∼200 ns) measurements for investigating luminescence dynamics. From TR-XEOL measurements, the decay lifetime of micro-diamonds is determined to be approximately 16 ns. Furthermore, the XEOL spectra of artificial micro-diamonds can be investigated by the HB-T interferometer to identify properties of single-photon sources. The unprecedented strategy of combining XEOL, TR-XEOL and the HB-T interferometer at the X-ray nanoprobe beamline will open new avenues with significant characterization abilities for unraveling the emission mechanisms of single-photon sources for quantum materials. Full Article text
q Novel correction procedure for compensating thermal contraction errors in the measurement of the magnetic field of superconducting undulator coils in a liquid helium cryostat By journals.iucr.org Published On :: 2024-02-22 Superconducting undulators (SCUs) can offer a much higher on-axis undulator field than state-of-the-art cryogenic permanent-magnet undulators with the same period and vacuum gap. The development of shorter-period and high-field SCUs would allow the free-electron laser and synchrotron radiation source community to reduce both the length of undulators and the dimensions of the accelerator. Magnetic measurements are essential for characterizing the magnetic field quality of undulators for operation in a modern light source. Hall probe scanning is so far the most mature technique for local field characterization of undulators. This article focuses on the systematic error caused by thermal contraction that influences Hall probe measurements carried out in a liquid helium cryostat. A novel procedure, based on the redundant measurement of the magnetic field using multiple Hall probes at known relative distance, is introduced for the correction of such systematic error. Full Article text
q Quantifying bunch-mode influence on photon-counting detectors at SPring-8 By journals.iucr.org Published On :: 2024-02-16 Count-loss characteristics of photon-counting 2D detectors are demonstrated for eight bunch-modes at SPring-8 through Monte Carlo simulations. As an indicator, the effective maximum count rate was introduced to signify the X-ray intensity that the detector can count with a linearity of 1% or better after applying a count-loss correction in each bunch-mode. The effective maximum count rate is revealed to vary depending on the bunch-mode and the intrinsic dead time of the detectors, ranging from 0.012 to 0.916 Mcps (megacounts per second) for a 120 ns dead time, 0.009 to 0.807 Mcps for a 0.5 µs dead time and 0.020 to 0.273 Mcps for a 3 µs intrinsic detector dead time. Even with equal-interval bunch-modes at SPring-8, the effective maximum count rate does not exceed 1 Mcps pixel−1. In other words, to obtain data with a linearity better than 1%, the maximum intensity of X-rays entering the detector should be reduced to 1 Mcps pixel−1 or less, and, in some cases, even lower, depending on the bunch-mode. When applying count-loss correction using optimized dead times tailored to each bunch-mode, the effective maximum count rate exceeds the values above. However, differences in the effective maximum count rate due to bunch-modes persist. Users of photon-counting 2D detectors are encouraged to familiarize themselves with the count-loss characteristics dependent on bunch-mode, and to conduct experiments accordingly. In addition, when designing the time structure of bunch-modes at synchrotron radiation facilities, it is essential to take into account the impact on experiments using photon-counting 2D detectors. Full Article text
q Modelling the power threshold and optimum thermal deformation of indirectly liquid-nitrogen cryo-cooled Si monochromators By journals.iucr.org Published On :: 2024-04-09 Maximizing the performance of crystal monochromators is a key aspect in the design of beamline optics for diffraction-limited synchrotron sources. Temperature and deformation of cryo-cooled crystals, illuminated by high-power beams of X-rays, can be estimated with a purely analytical model. The analysis is based on the thermal properties of cryo-cooled silicon crystals and the cooling geometry. Deformation amplitudes can be obtained, quickly and reliably. In this article the concept of threshold power conditions is introduced and defined analytically. The contribution of parameters such as liquid-nitrogen cooling efficiency, thermal contact conductance and interface contact area of the crystal with the cooling base is evaluated. The optimal crystal illumination and the base temperature are inferred, which help minimize the optics deformation. The model has been examined using finite-element analysis studies performed for several beamlines of the Diamond-II upgrade. Full Article text
q PEPICO analysis of catalytic reactor effluents towards quantitative isomer discrimination: DME conversion over a ZSM-5 zeolite By journals.iucr.org Published On :: 2024-06-25 The methanol-to-hydrocarbons (MTH) process involves the conversion of methanol, a C1 feedstock that can be produced from green sources, into hydrocarbons using shape-selective microporous acidic catalysts – zeolite and zeotypes. This reaction yields a complex mixture of species, some of which are highly reactive and/or present in several isomeric forms, posing significant challenges for effluent analysis. Conventional gas-phase chromatography (GC) is typically employed for the analysis of reaction products in laboratory flow reactors. However, GC is not suitable for the detection of highly reactive intermediates such as ketene or formaldehyde and is not suitable for kinetic studies under well defined low pressure conditions. Photoelectron–photoion coincidence (PEPICO) spectroscopy has emerged as a powerful analytical tool for unraveling complex compositions of catalytic effluents, but its availability is limited to a handful of facilities worldwide. Herein, PEPICO analysis of catalytic reactor effluents has been implemented at the FinEstBeAMS beamline of MAX IV Laboratory. The conversion of dimethyl ether (DME) on a zeolite catalyst (ZSM-5-MFI27) is used as a prototypical model reaction producing a wide distribution of hydrocarbon products. Since in zeolites methanol is quickly equilibrated with DME, this reaction can be used to probe vast sub-networks of the full MTH process, while eliminating or at least slowing down methanol-induced secondary reactions and catalyst deactivation. Quantitative discrimination of xylene isomers in the effluent stream is achieved by deconvoluting the coincidence photoelectron spectra. Full Article text
q Sub-nanometre quality X-ray mirrors created using ion beam figuring By journals.iucr.org Published On :: 2024-06-21 Ion beam figuring (IBF) is a powerful technique for figure correction of X-ray mirrors to a high accuracy. Here, recent technical advancements in the IBF instrument developed at Diamond Light Source are presented and experimental results for figuring of X-ray mirrors are given. The IBF system is equipped with a stable DC gridded ion source (120 mm diameter), a four-axis motion stage to manipulate the optic, a Faraday cup to monitor the ion-beam current, and a camera for alignment. A novel laser speckle angular measurement instrument also provides on-board metrology. To demonstrate the IBF system's capabilities, two silicon X-ray mirrors were processed. For 1D correction, a height error of 0.08 nm r.m.s. and a slope error of 44 nrad r.m.s. were achieved. For 2D correction over a 67 mm × 17 mm clear aperture, a height error of 0.8 nm r.m.s. and a slope error of 230 nrad r.m.s. were obtained. For the 1D case, this optical quality is comparable with the highest-grade, commercially available, X-ray optics. Full Article text
q Spexwavepy: an open-source Python package for X-ray wavefront sensing using speckle-based techniques By journals.iucr.org Published On :: 2024-07-30 In situ wavefront sensing plays a critical role in the delivery of high-quality beams for X-ray experiments. X-ray speckle-based techniques stand out among other in situ techniques for their easy experimental setup and various data acquisition modes. Although X-ray speckle-based techniques have been under development for more than a decade, there are still no user-friendly software packages for new researchers to begin with. Here, we present an open-source Python package, spexwavepy, for X-ray wavefront sensing using speckle-based techniques. This Python package covers a variety of X-ray speckle-based techniques, provides plenty of examples with real experimental data and offers detailed online documentation for users. We hope it can help new researchers learn and apply the speckle-based techniques for X-ray wavefront sensing to synchrotron radiation and X-ray free-electron laser beamlines. Full Article text
q A 1D imaging soft X-ray spectrometer for the small quantum systems instrument at the European XFEL By journals.iucr.org Published On :: 2024-07-30 A 1D imaging soft X-ray spectrometer installed on the small quantum systems (SQS) scientific instrument of the European XFEL is described. It uses movable cylindrical constant-line-spacing gratings in the Rowland configuration for energy dispersion in the vertical plane, and Wolter optics for simultaneous 1D imaging of the source in the horizontal plane. The soft X-ray fluorescence spectro-imaging capability will be exploited in pump–probe measurements and in investigations of propagation effects and other nonlinear phenomena. Full Article text
q Hyperspectral full-field quick-EXAFS imaging at the ROCK beamline for monitoring micrometre-sized heterogeneity of functional materials under process conditions By journals.iucr.org Published On :: 2024-08-23 Full-field transmission X-ray microscopy has been recently implemented at the hard X-ray ROCK–SOLEIL quick-EXAFS beamline, adding micrometre spatial resolution to the second time resolution characterizing the beamline. Benefiting from a beam size versatility due to the beamline focusing optics, full-field hyperspectral XANES imaging has been successfully used at the Fe K-edge for monitoring the pressure-induced spin transition of a 150 µm × 150 µm Fe(o-phen)2(NCS)2 single crystal and the charge of millimetre-sized LiFePO4 battery electrodes. Hyperspectral imaging over 2000 eV has been reported for the simultaneous monitoring of Fe and Cu speciation changes during activation of a FeCu bimetallic catalyst along a millimetre-sized catalyst bed. Strategies of data acquisition and post-data analysis using Jupyter notebooks and multivariate data analysis are presented, and the gain obtained using full-field hyperspectral quick-EXAFS imaging for studies of functional materials under process conditions in comparison with macroscopic information obtained by non-spatially resolved quick-EXAFS techniques is discussed. Full Article text
q Electrochemical cell for synchrotron nuclear resonance techniques By journals.iucr.org Published On :: 2024-08-16 Developing new materials for Li-ion and Na-ion batteries is a high priority in materials science. Such development always includes performance tests and scientific research. Synchrotron radiation techniques provide unique abilities to study batteries. Electrochemical cell design should be optimized for synchrotron studies without losing electrochemical performance. Such design should also be compatible with operando measurement, which is the most appropriate approach to study batteries and provides the most reliable results. The more experimental setups a cell can be adjusted for, the easier and faster the experiments are to carry out and the more reliable the results will be. This requires optimization of window materials and sizes, cell topology, pressure distribution on electrodes etc. to reach a higher efficiency of measurement without losing stability and reproducibility in electrochemical cycling. Here, we present a cell design optimized for nuclear resonance techniques, tested using nuclear forward scattering, synchrotron Mössbauer source and nuclear inelastic scattering. Full Article text
q Tetraaqua(ethane-1,2-diamine-κ2N,N')nickel(II) naphthalene-1,5-disulfonate dihydrate By journals.iucr.org Published On :: 2023-12-14 The reaction of ethane-1,2-diamine (en, C2H8N2), the sodium salt of naphthalene-1,5-disulfonic acid (H2NDS, C10H8O6S2), and nickel sulfate in an aqueous solution resulted in the formation of the title salt, [Ni(C2H8N2)(H2O)4](C10H6O6S2)·2H2O or [Ni(en)(H2O)4](NDS)·2H2O. In the asymmetric unit, one half of an [Ni(en)(H2O)4]2+ cation and one half of an NDS2− anion, and one water molecule of crystallization are present. The Ni2+ cation in the complex is positioned on a twofold rotation axis and exhibits a slight tetragonal distortion of the cis-NiO4N2 octahedron, with an Ni—N bond length of 2.0782 (16) Å, and Ni—O bond lengths of 2.1170 (13) Å and 2.0648 (14) Å. The anion is completed by inversion symmetry. In the extended structure, the cations, anions, and non-coordinating water molecules are connected by intermolecular N—H⋯O and O—H⋯O hydrogen bonding, as well as C—H⋯π interactions, forming a three-dimensional network. Full Article text
q Synthesis and structure of trans-bis(4-amino-3-nitrobenzoato-κO)bis(4-amino-3-nitrobenzoic acid-κO)diaquamanganese(II) dihydrate By journals.iucr.org Published On :: 2024-01-19 The manganese title complex, [Mn(C7H5N2O4)2(C7H6N2O4)2(H2O)2]·2H2O, is one of the first 4-amino 3-nitrobenzoic acid (4 A3NBA) monoligand metal complexes to be synthesized. It crystallizes in the centrosymmetric monoclinic space group P21/n with the complex molecules located on inversion centers. Four 4 A3NBA ligand molecules are monodentately coordinated by the Mn2+ ion through the carboxylic oxygen atoms while the other two positions of the inner coordination sphere are occupied by water molecules, giving rise to a distorted octahedron, and two water molecules are in the outer coordination sphere. There are two intramolecular hydrogen bonds in the complex molecule. The first is of the common N—H⋯O=N type, while the second is a rarely occurring very strong hydrogen bond in which a common proton is shared by two uncoordinated oxygen atoms of neighboring carboxylate groups. In the crystal, an intricate system of intermolecular hydrogen bonds links the complex molecules into a three-dimensional-network. Full Article text
q Aquabis(2,2'-bipyridine-κ2N,N')(isonicotinamide-κN)ruthenium(II) bis(trifluoromethanesulfonate) By journals.iucr.org Published On :: 2024-02-08 In the title complex, [Ru(C10H8N2)2(C6H6N2O)(H2O)](CF3SO3)2, the central RuII atom is sixfold coordinated by two bidentate 2,2'-bipyridine, an isonicotinamide ligand, and a water molecule in a distorted octahedral environment with trifluoromethanesulfonate ions completing the outer coordination sphere of the complex. Hydrogen bonding involving the water molecule and weak π–π stacking interactions between the pyridyl rings in adjacent molecules contribute to the alignment of the complexes in columns parallel to the c axis. Full Article text
q Poly[(μ-2,3-diethyl-7,8-dimethylquinoxaline-κ2N:N)(2,3-diethyl-7,8-dimethylquinoxaline-κN)-μ-nitrato-κ2O:O'-nitrato-κ2O,O'-disilver(I)] By journals.iucr.org Published On :: 2024-03-21 The structure of the title compound, [C14H18N2)2Ag2](NO3)2, contains subtle differences in ligand, metal, and counter-anion coordination. One quinoxaline ligand uses one of its quinoxaline N atoms to bond to one silver cation. That silver cation is bound to a second quinoxaline which, in turn, is bound to a second silver atom; thereby using both of its quinoxaline N atoms. A nitrate group bonds with one of its O atoms to the first silver and uses the same oxygen to bond to a silver atom (related by symmetry to the second), thereby forming an extended network. The second nitrate group on the other silver bonds via two nitrate O atoms; one silver cation therefore has a coordination number of three whereas the second has a coordination number of four. One of the quinoxaline ligands has a disordered ethyl group. Full Article text
q mer-Bis(quinoline-2-carboxaldehyde 4-ethylthiosemicarbazonato)nickel(II) methanol 0.33-solvate 0.67-hydrate By journals.iucr.org Published On :: 2024-04-26 In the title compound, [Ni(C13H13N4S)2]·0.33CH3OH·0.67H2O, the NiII atom is coordinated by two tridentate quinoline-2-carboxaldehyde 4-ethylthiosemicarbazonate ligands in a distorted octahedral shape. At 100 K, the crystal symmetry is monoclinic (space group P21/n). A mixture of water and methanol crystallizes with the title complex, and one of the ethyl groups in the coordinating ligands is disordered over two positions, with an occupancy ratio of 58:42. There is intermolecular hydrogen bonding between the solvent molecules and the amine and thiolate groups in the ligands. No other significant interactions are present in the crystal packing. Full Article text
q Chlorido[5,10,15,20-tetrakis(quinoline-7-carboxamido)porphinato]iron(III) By journals.iucr.org Published On :: 2024-06-04 The title compound, [Fe(C84H52N12O4)Cl], crystallizes in space group C2/c. The central FeIII cation (site symmetry 2) is coordinated in a fivefold manner, with four pyrrole N atoms of the porphyrin core in the basal sites and one Cl atom (site symmetry 2) in the apical position, which completes a slightly distorted square-pyramidal environment. The porphyrin macrocycle shows a characteristic ruffled-shape distortion and the iron atom is displaced out of the porphyrin plane by 0.42 Å with the average Fe—N distance being 2.054 (4) Å; the Fe—Cl bond length is 2.2042 (7) Å. Intermolecular C—H⋯N and C—H⋯O hydrogen bonds occur in the crystal structure. Full Article text
q Bis(8-hydroxyquinolinium) naphthalene-1,5-disulfonate tetrahydrate By journals.iucr.org Published On :: 2024-06-18 The interaction between 8-hydroxyquinoline (8HQ, C9H7NO) and naphthalene-1,5-disulfonic acid (H2NDS, C10H8O6S2) in aqueous media results in the formation of the salt hydrate bis(8-hydroxyquinolinium) naphthalene-1,5-disulfonate tetrahydrate, 2C9H8NO+·C10H6O6S22−·4H2O. The asymmetric unit comprises one protonated 8HQ+ cation, half of an NDS2– dianion symmetrically disposed around a center of inversion, and two water molecules. Within the crystal structure, these components are organized into chains along the [010] and [10overline{1}] directions through O—H⋯O and N—H⋯O hydrogen-bonding interactions, forming a di-periodic network parallel to (101). Additional stabilizing interactions such as C—H⋯O, C—H⋯π, and π–π interactions extend this arrangement into a tri-periodic network structure Full Article text
q trans-Diaquatetrakis(tetrahydrofuran-κO)iron(II) μ-carbonyl-tetradecacarbonyltetrachlorido-μ-dimethylsilanediolato-tetragalliumtetrairon(7 Ga–Fe)(Fe–Fe) tetrahydro By journals.iucr.org Published On :: 2024-06-28 The title compound, [Fe(C4H8O)4(H2O)2][Fe4Ga4(C2H6O2Si)Cl4(CO)15]·4C4H8O, consists of an iron(II) cation octahedrally coordinated by two water molecules (trans) with four tetrahydrofurans (THF) at equatorial sites. Two additional THF molecules are hydrogen bonded to each of the water molecules. The dianion of the title compound is an organometallic butterfly complex with a dimethyl siloxane core and two iron-gallium fragments. The lengths of the iron to gallium metal–metal bonds range from 2.3875 (6) to 2.4912 (6) Å. Full Article text
q Bis(2-carboxyquinolinium) hexachloridostannate(IV) dihydrate By journals.iucr.org Published On :: 2024-08-30 In the hydrated title salt, (C10H8NO2)2[SnCl6]·2H2O, the tin(IV) atom is located about a center of inversion. In the crystal structure, the organic cation, the octahedral inorganic anion and the water molecule of crystallization interact through O—H⋯O, N—H⋯O and O—H⋯Cl hydrogen bonds, supplemented by weak π–π stacking between neighboring cations, and C—Cl⋯π interactions. Full Article text