deca

The Mahindra Thar's journey over the decades

As Mahindra readies to unveil its latest version of the Jeep that is so beloved of adventure enthusiasts, the urban crowd as well as the countryside, Rajesh Karkera/Rediff.com traces the vehicle's journey through the decades.




deca

Iron/photoredox dual-catalyzed redox-neutral double decarboxylative C(sp3)–C(sp3) cross-coupling

Green Chem., 2024, 26,11334-11339
DOI: 10.1039/D4GC04523H, Paper
Qi Zhang, Shanghui Wu, Xuesong Wu
An efficient iron porphyrin/photoredox dual catalytic system for the double decarboxylative radical C(sp3)–C(sp3) cross-coupling under redox-neutral and mild conditions.
The content of this RSS Feed (c) The Royal Society of Chemistry




deca

Amol Khatal, grandson of Congress leader B J Khatal, seeks to oust Sangamner MLA Balasaheb Thorat from his constituency of decades




deca

Retail ownership of equities up 800bps in a decade

Retail investors have become a force to reckon with in the last 10 years with their ownership of Indian equities rising 800 basis points, or 8 per cent, to 23.4 per cent during this period, suggests a recent note from Morgan Stanley. This number, Morgan Stanley said, is set to rise in the next few years as Indian households are still underinvested in equities. India's demographics, policy framework, investor education and modest positive real rates, it said, will fuel the 'equity cult' in India.




deca

The Decay of Power

Under 35s Forum

16 January 2014 - 6:30pm to 7:30pm

Chatham House, London

Event participants

Moisés Naím, Senior Associate, International Economics Programme, Carnegie Endowment for International Peace; Author: The End of Power: From Boardrooms to Battlefields and Churches to States, Why Being In Charge Isn’t What It Used To Be
Chair: Gavin Esler, Journalist and Author: Lessons from the Top

Moisés Naím will share his insights into the changing nature of power in the 21st century. He will articulate what he considers to be the shift and dispersal of power between traditionally dominant actors (such as large, stable governments, corporations and armies), and newly ascendant ‘micropowers’ (such as the Tea Party, WikiLeaks, and Somali pirates). 

Crucially, however, he will argue power today is decaying. He will suggest power is easier to acquire, but harder to use, and easier to lose. Coupled with this, the drive for power makes emerging actors across many fields of endeavour vulnerable, leading to chaos, confusion and paralysis. 

There will be a reception after the event.

This is an Under 35s Forum event.




deca

The Decay of Power

Research Event

16 January 2014 - 5:00pm to 6:15pm

Chatham House, London

Event participants

Moisés Naím, Senior Associate, International Economics Programme, Carnegie Endowment for International Peace; Author: The End of Power: From Boardrooms to Battlefields and Churches to States, Why Being In Charge Isn’t What It Used To Be

Dr Naím will discuss the changing nature of power in the 21st century and will argue power today is decaying. He will suggest that while power is easier to acquire, it is harder to use, and easier to lose. In addition to this, the drive for power makes emerging actors across many different fields of endeavour vulnerable, leading to chaos, confusion and paralysis. The conversation will take place under the Chatham House Rule

Attendance at this event is by invitation only. 

Event attributes

Chatham House Rule

Department/project




deca

A Tumultuous Decade: Employment Outcomes of Immigrants in the Czech Republic

This report assesses the labor market outcomes of new immigrants in the Czech Republic, focusing on trends according to year of arrival, country of origin, gender, level of education, and sector of employment. The analysis suggests that the challenge of reducing obstacles to immigrant workers’ progression into more skilled employment are worth significant policy attention.





deca

Asia Report: Four Reasons Why Solar Can Unseat Coal in India This Decade

Coal contributes 60 percent to India's power mix today; solar is less than 1 percent. But what was a factor-of-seven difference between the cost of coal and solar two years ago shrank this summer to just a 1.8x gap. Can solar catch up within the next ten years?




deca

Altria Group: This Dividend King Is Positioned To Beat The S&P 500 Over The Next Decade




deca

Elderly Hongkongers peeved by looming eviction and relocation at decades-old care home amid Covid-19 pandemic

The looming eviction and relocation of 150 elderly residents at a decades-old care home in Hong Kong amid the coronavirus pandemic has left many fearful of infection risks, as a resident prepares to launch a last-minute legal battle against the government to stop a demolition plan within a month.Situated in the suburbs of the northern border town of Sheung Shui, Dills Corner Garden has housed 16 elderly care homes since 1997 and is much beloved by many residents for its tranquil life, quality…




deca

Reliance Industries Limited’s First Rights Issue In Three Decades Likely To Open On 22 May - Swarajya

  1. Reliance Industries Limited’s First Rights Issue In Three Decades Likely To Open On 22 May  Swarajya
  2. Reliance announces record date for ₹53,125 crore rights issue  Livemint
  3. RIL fixes May 14 as record date for rights issue  Economic Times
  4. Should You Invest In Reliance Industries Rights Issue?  Goodreturns
  5. View Full coverage on Google News




deca

Data, Royalties & Rights: A Decade-Plus at Re:Sound

In December 2019, with just a few months left before he steps down from his post as president of Re:Sound, Mike had a wide-ranging chat with Ian MacKay about his 11 years with the performing rights organization that represents labels and performing artists.

Ian discusses how Re:Sound’s mission evolved over the decade, how the rise of streaming and its ocean of data impacted its work, evolving relations between music industry organizations, Entandem’s performance thus far, and more. Mike and Ian also dig into the numbers, both positive and negative, from Re:Sound’s most recent financial report, discussing why domestic revenues have been flat while international revenue are increasing and whether music rights holders are owed more compensation for private copying.

Plus, singer/songwriter Ed Roman joins us for a short chat about his single, "Stronger," his unique approach to lyric writing, and more.

http://canadianmusician.com





deca

After a Span of Four Decades Chikungunya Returns to Kolkata

Chikungunya, a form of viral fever spread by the Aedes Aegypti mosquito, has returned to Kolkata after 44 years with at least three people here testing positive for the virus that causes the disease.




deca

COP21 was decades in the making, so how do we make future decades work for climate? Insights blog

Given the years of preparation – and for some OECD colleagues, a life’s work – my hope was for an enduring, ambitious text, helping us to avoid climate catastrophe. My expectation was far less grand, more closely aligned to the reality of getting 195 countries to adopt an agreement with legal force.




deca

Decarbonising the global economy: The direction of travel after COP21 - Live video

The IEA is pleased to announce the second event in its new distinguished speaker series, Big IdEAs, which brings global leaders and decision makers to the IEA to share their views on a range of global issues. On Friday 29 January starting at 11h30, Professor Sir David King, the UK Foreign Secretary’s Special Representative for Climate Change, will speak on "Towards decarbonising the global economy".




deca

Report: Decarbonising Maritime Transport - Pathways to zero-carbon shipping by 2035

This report examines what would be needed to achieve zero CO2 emissions from international maritime transport by 2035. It assesses measures that can reduce shipping emissions effectively and describes possible decarbonisation pathways that use different combinations of these measures; and reviews under which conditions these measures could be implemented and presents concrete policy recommendations.




deca

Power struggle: Decarbonising the electricity sector - Effects of climate policies, policy misalignments and political economy factors on decarbonisation - Environment Working Paper

This report investigates the effects of select climate policies, non-climate policies, as well as political economy factors on the decarbonisation of electricity in OECD countries from 2000 to 2015. Effects are analysed on the three phases of decarbonisation: (1) increasing the share of renewables installed, (2) increasing the use of renewables in generation, and (3) reducing the emissions from electricity.




deca

Webinar - Decarbonizing Development: Three Steps to a Zero-Carbon Future

On 28 May 2015, the Green Growth Knowledge Platform (GGKP) webinar will examine how proper planning can help lay the foundation for both a stable climate and good development path; explore how countries can create the right enabling environment so that the needed technology, infrastructure and financing are available; and discuss how countries can carefully manage the transition, given vital political economy considerations.




deca

PISA in Focus No. 52 - How have schools changed over the past decade?

The quantity and quality of resources available to schools improved significantly between 2003 and 2012, on average across OECD countries.




deca

PISA in Focus No. 68 - Where did equity in education improve over the past decade?

The persistence of social inequities in education – the fact that children of wealthy and highly educated parents tend to do better in school than children from less privileged families – is often seen as a difficult-to-reverse feature of education systems.




deca

Happy Mother's Day: Everything you need to know about mother's nutrition through the decades

Mothers, are you looking after yourself? Is your health your priority? A mother's nutrition at any given age whether in the '20s, '30s or '50s, her nutrition plays a vital role. A woman's health is unique in many ways. Scroll down to know more.




deca

Hidden behind a modest restaurant, decades of worth


Over the years, several thousands have made their way to this Kolkata eatery to feast on authentic local food. It's the star feather in the All Bengal Women's Union's cap. Aditi Bhaduri has more.




deca

Ex ordinis philosophorum mandato renuntiantur philosophiae doctores: et artium liberalium magistri rectore magnifico Ioanne Adolpho Overbeck ... decano Gustavo Henrico Wiedemann ... procancellario Ludovico Lange ... inde a die primo mensis Novembris a. MD

Archives, Room Use Only - QC761.W54 1876




deca

'Grey's Anatomy' star Caterina Scorsone, hubby Rob Giles split after decade of marriage




deca

RIL's first rights issue in 3 decades likely to open on May 22





deca

Polymeric poly[[decaaquabis(μ6-1,8-disulfonato-9H-carbazole-3,6-dicarboxylato)di-μ3-hydroxy-pentazinc] decahydrate]

The asymmetric unit of the title MOF, [Zn5(C14H5NO10S2)2(OH)2(H2O)10]n comprises three ZnII atoms, one of which is located on a centre of inversion, a tetra-negative carboxyl­ate ligand, one μ3-hydroxide and five water mol­ecules, each of which is coordinated. The ZnII atom, lying on a centre of inversion, is coordinated by trans sulfoxide-O atoms and four water mol­ecules in an octa­hedral geometry. Another ZnII atom is coordinated by two carboxyl­ate-O atoms, one hy­droxy-O, one sulfoxide-O and a water-O atom to define a distorted trigonal–bipyramidal geometry; a close Zn⋯O(carboxyl­ate) inter­action derived from an asymmetrically coordinating ligand (Zn—O = 1.95 and 3.07 Å) suggests a 5 + 1 coordination geometry. The third ZnII atom is coordinated in an octa­hedral fashion by two hy­droxy-O atoms, one carboxyl­ate-O, one sulfoxide-O and two water-O atoms, the latter being mutually cis. In all, the carboxyl­ate ligand binds six ZnII ions leading to a three-dimensional architecture. In the crystal, all acidic donors form hydrogen bonds to oxygen acceptors to contribute to the stability of the three-dimensional architecture.




deca

Dodecan-1-aminium sulfate trihydrate

The asymmetric unit of the title salt, 2C12H28N+·SO42−·3H2O, contains two n-do­decyl­ammonium cations, one sulfate anion and three water mol­ecules. In the crystal, N—H⋯O hydrogen bonds link the cations and anions into layers parallel to (100). These layers are further connected through O—H⋯O hydrogen-bonding inter­actions involving the sulfate ions and the isolated water mol­ecules. The three-dimensional structure can also be considered as the superposition of thin inorganic layers of SO42− anions and thick layers of alkyl­ammonium cations perpendicular to the c axis.




deca

(1,4,8,11-Tetra­aza­cyclo­tetra­deca­ne)palladium(II) diiodide monohydrate

In the title compound, [Pd(C10H24N4)]I2·H2O, the PdII ion is four-coordinated in a slightly distorted square-planar coordination environment defined by four N atoms from a 1,4,8,11-tetra­aza­cyclo­tetra­decane ligand. The cationic complex, two I− anions and the solvent water mol­ecule are linked through inter­molecular hydrogen bonds into a three-dimensional network structure.




deca

Decacarbon­yl(μ-ethyl­idenimino-1κN:2κC)-μ-hydrido-triangulo-triosmium(3 Os–Os)

The title complex, [Os3(C2H4N)H(CO)10] or [Os3(CO)10(μ-H)(μ-HN=C—CH3-1κN:2κC)], was synthesized in 41.6% yield by reactions between Os3(CO)11(CH3CN) and 2,4,6-tri­methyl­hexa­hydro-1,3,5-triazine. The central osmium triangle has two OsI atoms bridged by a hydride ligand and a μ-HN= C—CH3-1κN:2κC triazine fragment. Three CO ligands complete the coordination sphere around each OsI atom, while the remaining Os0 atom has four CO ligands. Each Os atom exhibits a pseudo-octa­hedral coordination environment, discounting the bridging Os—Os bond.




deca

[4-(4-Meth­oxy­phen­yl)-8-oxo-3-(phenyl­selan­yl)spiro­[4.5]deca-3,6,9-trien-2-yl]methyl­cyanamide

The title compound, C25H22N2O2Se, crystallizes in the space group P21/c with one mol­ecule in the asymmetric unit. The compound was synthesized by the addition of phenyl­selenyl bromide to a cyanamide. The phenyl­selenyl portion and the cyano group, as well as the ketone functional group in the cyclo­hexa-2,5-dien-1-one portion of the structure, are disordered, with occupancy factors of 0.555 (14) and 0.445 (14).




deca

Dicaesium tetra­magnesium penta­kis­(carbonate) deca­hydrate, Cs2Mg4(CO3)5·10H2O

The title carbonate hydrate, Cs2Mg4(CO3)5·10H2O, was crystallized at room temperature out of aqueous solutions containing caesium bicarbonate and magnesium nitrate. Its monoclinic crystal structure (P21/n) consists of double chains of composition 1∞[Mg(H2O)2/1(CO3)3/3], isolated [Mg(H2O)(CO3)2]2– units, two crystallographically distinct Cs+ ions and a free water mol­ecule. The crystal under investigation was twinned by reticular pseudomerohedry.




deca

12,15-Dimethyl-8-oxa­tetra­cyclo­[8.8.0.02,7.011,16]octa­deca-1(18),2,4,6,11(16),12,14-heptaen-10-ol

In the title compound, C19H18O2, the pyran ring is in a half-chair conformation. The fused ring system comprising the benzene and cyclo­hexene rings is essentially planar (r.m.s. deviation = 0.053 Å) and forms a dihedral angle of 27.95 (6)° with the other benzene ring. In the crystal, O—H⋯O hydrogen bonds connect the mol­ecules into chains propagating along [001].




deca

Tris­(4,4'-di-tert-butyl-2,2'-bi­pyridine)(trans-4-tert-butyl­cyclo­hexa­nolato)­deca-μ-oxido-hepta­oxido­hepta­vanadium aceto­nitrile monosolvate including another unknown solvent mol­ecule

The title hepta­nuclear alkoxido(oxido)vanadium(V) oxide cluster complex, [V7(C10H19O)O17(C18H24N2)3]·CH3CN, was obtained by the reaction of [V8O20(C18H24N2)4] with 4-tert-butyl­cyclo­hexa­nol (mixture of cis and trans) in a mixed CHCl3/CH3CN solvent. The complex has a V7O18N6 core with approximately Cs symmetry, which is composed of two VO4 tetra­hedra, two VO6 octa­hedra and three VO4N2 octa­hedra. In the crystal, these complexes are linked together by weak inter­molecular C—H⋯O hydrogen bonds between the 4,4'-di-tert-butyl-2,2'-bi­pyridine ligand and the V7O18N6 core, forming a one-dimensional network along the c-axis direction. Besides the complex, the asymmetric unit contains one CH3CN solvent mol­ecule. The contribution of other disordered solvent mol­ecules to the scattering was removed using the SQUEEZE option in PLATON [Spek (2015). Acta Cryst. C71, 9–18]. The unknown solvent mol­ecules are not considered in the chemical formula and other crystal data.




deca

Crystal structure of 7,8,15,16,17-penta­thiadi­spiro­[5.2.59.36]hepta­deca­ne

The title compound, C12H20S5, crystallizes in the monoclinic space group P21/c with four mol­ecules in the unit cell. In the crystal, the asymmetric unit comprises the entire mol­ecule with the three cyclic moieties arranged in a line. The mol­ecules in the unit cell pack in a parallel fashion, with their longitudinal axes arranged along a uniform direction. The packing is stabilized by the one-dimensional propagation of non-classical hydrogen-bonding contacts between the central sulfur atom of the S3 fragment and the C—H of a cyclo­hexyl group from a glide-related mol­ecule [C⋯S = 3.787 (2) Å].




deca

Crystal structure of 210,220-bis­(2,6-di­chloro­phen­yl)-4,7,12,15-tetra­oxa-2(5,15)-nickel(II)porpyhrina-1,3(1,2)-dibenzena-cyclo­hepta­deca­phane-9-yne di­chloro­methane monosolvate

The asymmetric unit of the title compound, [Ni(C52H34Cl4N4O4)]·CH2Cl2, consists of two discrete complexes, which show significant differences in the conformation of the side chain. Each NiII cation is coordinated by four nitro­gen atoms of a porphyrin mol­ecule within a square-planar coordination environment. Weak intra­molecular C—H⋯Cl and C—H⋯O inter­actions stabilize the mol­ecular conformation. In the crystal structure, discrete complexes are linked by C—H⋯Cl hydrogen-bonding inter­actions. In addition, the two unique di­chloro­methane solvate mol­ecules (one being disordered) are hydrogen-bonded to the Cl atoms of the chloro­phenyl groups of the porphyrin mol­ecules, thus stabilizing the three-dimensional arrangement. The crystal exhibits pseudo-ortho­rhom­bic metrics, but structure refinements clearly show that the crystal system is monoclinic and that the crystal is twinned by pseudo-merohedry.




deca

Crystal structures of trans-di­aqua­(3-R-1,3,5,8,12-penta­aza­cyclo­tetra­deca­ne)copper(II) isophthalate hydrates (R = benzyl or pyridin-3-ylmethyl)

The asymmetric units of the title compounds, trans-di­aqua­(3-benzyl-1,3,5,8,12-penta­aza­cyclo­tetra­decane-κ4N1,N5,N8,N12)copper(II) isophthalate monohydrate, [Cu(C16H29N5)(H2O)2](C8H4O4)·H2O, (I), and trans-di­aqua­[3-(pyridin-3-ylmeth­yl)-1,3,5,8,12-penta­aza­cyclo­tetra­decane-κ4N1,N5,N8,N12]copper(II) iso­phthalate 0.9-hydrate, [Cu(C15H28N6)(H2O)2](C8H4O4)·0.9H2O, (II) consist of one di­aqua macrocyclic cation, one di­carboxyl­ate anion and uncoordinated water mol­ecule(s). In each compound, the metal ion is coordinated by the four secondary N atoms of the macrocyclic ligand and the mutually trans O atoms of the water mol­ecules in a tetra­gonally distorted octa­hedral geometry. The average equatorial Cu—N bond lengths are significantly shorter than the average axial Cu—O bond lengths [2.020 (9) versus 2.495 (12) Å and 2.015 (4) versus 2.507 (7) Å for (I) and (II), respectively]. The coordinated macrocyclic ligand in the cations of both compounds adopts the most energetically favorable trans-III conformation. In the crystals, the complex cations and counter-anions are connected via hydrogen-bonding inter­actions between the N—H groups of the macrocycles and the O—H groups of coordinated water mol­ecules as the proton donors and the O atoms of the carboxyl­ate as the proton acceptors. Additionally, as a result of O—H⋯O hydrogen bonding with the coordinated and water mol­ecules of crystallization, the isophthalate dianions form layers lying parallel to the (overline{1}01) and (100) planes in (I) and (II), respectively.




deca

Absolute structure of (3aS,5S,7aS,7bS,9aR,10R,12aR,12bS)-7b-hy­droxy-4,4,7a,9a,12a-penta­methyl-10-[(2'R)-6-methyl­heptan-2-yl]-2,8,9-trioxo­octa­deca­hydro­benzo[d]indeno­[4,5-b]azepin-5-yl acetate from 62-year-old

The structure of the title compound, C32H51NO6, was determined from 62-year-old crystals at room temperature and refined with 100 K data in a monoclinic (C2) space group. This compound with a triterpenoid structure, now confirmed by this study, played an important role in the determination of the structure of lanosterol. The mol­ecules pack in linear O—H⋯O hydrogen-bonded chains along the short axis (b), while parallel chains display weak van der Waals inter­actions that explain the needle-shaped crystal morphology. The structure exhibits disorder of the flexible methyl­heptane chain at one end of the main mol­ecule with a small void around it. Crystals of the compounds were resistant to data collection for decades with the available cameras and Mo Kα radiation single-crystal diffractometer in our laboratory until a new instrument with Cu Kα radiation operating at 100 K allowed the structure to be solved and refined.




deca

In situ deca­rbonylation of N,N-di­methyl­formamide to form di­methyl­ammonium cations in the hybrid framework compound {[(CH3)2NH2]2[Zn{O3PC6H2(OH)2PO3}]}n

The title phospho­nate-based organic–inorganic hybrid framework, poly[bis(dimethylammonium) [(μ4-2,5-dihydroxybenzene-1,4-diphosphonato)zinc(II)]], {(C2H8N)2[Zn(C6H4O8P2)]}n, was formed unexpectedly when di­methyl­ammonium cations were formed from the in situ deca­rbonylation of the N,N-di­methyl­formamide solvent. The framework is built up from ZnO4 tetra­hedra and bridging di­phospho­nate tetra-anions to generate a three-dimensional network comprising [100] channels occupied by the (CH3)2NH2+ cations. Within the channels, an array of N—H⋯O hydrogen bonds help to establish the structure. In addition, intra­molecular O—H⋯O hydrogen bonds between the appended –OH groups of the phenyl ring and adjacent PO32− groups are observed.




deca

The first structural characterization of the proton­ated aza­cyclam ligand in catena-poly[[[(perchlorato)copper(II)]-μ-3-(3-carb­oxy­prop­yl)-1,5,8,12-tetra­aza-3-azonia­cyclo­tetra­deca­ne] bis­(per&

The asymmetric unit of the title com­pound, catena-poly[[[(perchlorato-κO)copper(II)]-μ-3-(3-carb­oxy­prop­yl)-1,5,8,12-tetra­aza-3-azonia­cyclo­tetra­decane-κ4N1,N5,N8,N12] bis­(per­chlorate)], {[Cu(C13H30N5O2)(ClO4)](ClO4)2}n, (I), consists of a macrocyclic cation, one coordinated per­chlorate anion and two per­chlorate ions as counter-anions. The metal ion is coordinated in a tetra­gonally distorted octa­hedral geometry by the four secondary N atoms of the macrocyclic ligand, the mutually trans O atoms of the per­chlorate anion and the carbonyl O atom of the protonated carb­oxy­lic acid group of a neighbouring cation. The average equatorial Cu—N bond lengths [2.01 (6) Å] are significantly shorter than the axial Cu—O bond lengths [2.379 (8) Å for carboxyl­ate and average 2.62 (7) Å for disordered per­chlorate]. The coordinated macrocyclic ligand in (I) adopts the most energetically favourable trans-III conformation with an equatorial orientation of the substituent at the protonated distal 3-position N atom in a six-membered chelate ring. The coordination of the carb­oxy­lic acid group of the cation to a neighbouring com­plex unit results in the formation of infinite chains running along the b-axis direction, which are cross­linked by N—H⋯O hydrogen bonds between the secondary amine groups of the macrocycle and O atoms of the per­chlorate counter-anions to form sheets lying parallel to the (001) plane. Additionally, the extended structure of (I) is consolidated by numerous intra- and interchain C—H⋯O contacts.




deca

Poly[[tetra­deca­kis­(μ-propionato)hepta­barium] propionic acid monosolvate tetra­hydrate]

The title compound, {[Ba7(C3H5O2)14]·0.946C3H6O2·4H2O}n, is represented by a metal–organic framework structure that is held together by Ba—O—Ba bonds, as well as by O—H⋯O hydrogen bonds of moderate strength. The structure comprises of four independent Ba2+ cations (one of which is situated on a twofold rotation axis), seven independent propionate and two independent water mol­ecules. The bond-valence sums of all the cations indicate a slight overbonding. There is also an occupationally, as well as a positionally disordered propionic acid mol­ecule present in the structure. Its occupation is slightly lower than the full occupation while the disordered mol­ecules occupy two positions related by a rotation about a twofold rotation axis. In addition, the methyl group in the symmetry-independent propionic acid mol­ecule is also disordered, and occupies two positions. Each propionic acid mol­ecule coordinates to just one cation from a pair of symmetry-equivalent Ba2+ sites and is simultaneously bonded by an O—H⋯Opropionate hydrogen bond. This means that on a microscopic scale, the coordination number of the corresponding Ba2+ site is either 9 or 10. The methyl as well as hy­droxy hydrogen atoms of the disordered propionic acid mol­ecule were not determined.




deca

Crystal structure of 1,4,8,11-tetra­methyl-1,4,8,11-tetra­azonia­cyclo­tetra­decane bis­(perchlorate) dichloride from synchrotron X-ray data

The crystal structure of title salt, C14H36N44+·2ClO4−·2Cl−, has been determined using synchrotron radiation at 220 K. The structure determination reveals that protonation has occurred at all four amine N atoms. The asymmetric unit contains one half-cation (completed by crystallographic inversion symmetry), one perchlorate anion and one chloride anion. A distortion of the perchlorate anion is due to its involvement in hydrogen-bonding inter­actions with the cations. The crystal structure is consolidated by inter­molecular hydrogen bonds involving the 1,4,8,11-tetra­methyl-1,4,8,11-tetra­azonia­cyclo­tetra­decane N—H and C—H groups as donor groups, and the O atoms of the perchlorate and chloride anion as acceptor groups, giving rise to a three-dimensional network.




deca

Synthesis and crystal structure of (1,4,7,10-tetra­aza­cyclo­dodecane-κ4N)(tetra­sulfido-κ2S1,S4)manganese(II)

The title compound, [Mn(S4)(C8H20N4)], was accidentally obtained by the hydro­thermal reaction of Mn(ClO4)2·6H2O, cyclen (cyclen = 1,4,7,10-tetra­aza­cyclo­dodeca­ne) and Na3SbS4·9H2O in water at 413 K, indicating that polysulfide anions might represent inter­mediates in the synthesis of thio­metallate compounds using Na3SbS4·9H2O as a reactant. X-ray powder diffraction proves that the sample is slightly contaminated with NaSb(OH)6 and an unknown crystalline phase. The crystal investigated was twinned with a twofold rotation axis as the twin element, and therefore a twin refinement using data in HKLF-5 format was performed. The asymmetric unit of the title compound consists of one MnII cation, one [S4]2− anion and one cyclen ligand in general positions. The MnII cation is sixfold coordinated by two cis-S atoms of the [S4]2− anions, as well as four N atoms of the cyclen ligand within an irregular coordination. The complexes are linked via pairs of N—H⋯S hydrogen bonds into chains, which are further linked into layers by additional N—H⋯S hydrogen bonding. These layers are connected into a three-dimensional network by inter­molecular N—H⋯S and C—H⋯S hydrogen bonding. It is noted that only one similar complex with MnII is reported in the literature.




deca

Crystal structure of 1,4,8,11-tetra­methyl-1,4,8,11-tetra­azonia­cyclo­tetra­decane bis­[chlorido­chromate(VI)] dichloride from synchrotron X-ray data

The crystal structure of title compound, (C14H36N4)[CrO3Cl]2Cl2, has been determined by synchrotron radiation X-ray crystallography at 220 K. The macrocyclic cation lies across a crystallographic inversion center and hence the asymmetric unit contains one half of the organic cation, one chloro­chromate anion and one chloride anion. Both the Cl− anion and chloro­chromate Cl atom are involved in hydrogen bonding. In the crystal, hydrogen bonds involving the 1,4,8,11-tetra­methyl-1,4,8,11-tetra­azonia­cyclo­tetra­decane (TMC) N—H groups and C—H groups as donor groups and three O atoms of the chloro­chromate and the chloride anion as acceptor groups link the components, giving rise to a three-dimensional network.




deca

Crystal structure of trans-di­chlorido­(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ4N)chromium(III) bis­(form­amide-κO)(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ4N)chromium(III) bis­[tetra­ch

The structure of the title compound, [CrCl2(C10H24N4)][Cr(HCONH2)2(C10H24N4)][ZnCl4]2 (C10H24N4 = 1,4,8,11-tetra­aza­cyclo­tetra­decane, cyclam; HCONH2 = formamide, fa), has been determined from synchrotron X-ray data. The asymmetric unit contains two independent halves of the [CrCl2(cyclam)]+ and [Cr(fa)(cyclam)]3+ cations, and one tetra­chlorido­zincate anion. In each complex cation, the CrIII ion is coordinated by the four N atoms of the cyclam ligand in the equatorial plane and two Cl ligands or two O-bonded formamide mol­ecules in a trans axial arrangement, displaying a distorted octa­hedral geometry with crystallographic inversion symmetry. The Cr—N(cyclam) bond lengths are in the range 2.061 (2) to 2.074 (2) Å, while the Cr—Cl and Cr—O(fa) bond distances are 2.3194 (7) and 1.9953 (19) Å, respectively. The macrocyclic cyclam moieties adopt the centrosymmetric trans-III conformation with six- and five-membered chelate rings in chair and gauche conformations. The crystal structure is stabilized by inter­molecular hydrogen bonds involving the NH or CH groups of cyclam and the NH2 group of coordinated formamide as donors, and Cl atoms of the ZnCl42− anion as acceptors.




deca

A decagonal quasicrystal with rhombic and hexagonal tiles decorated with icosahedral structural units

The structure of a decagonal quasicrystal in the Zn58Mg40Y2 (at.%) alloy was studied using electron diffraction and atomic resolution Z-contrast imaging techniques. This stable Frank–Kasper Zn–Mg–Y decagonal quasicrystal has an atomic structure which can be modeled with a rhombic/hexagonal tiling decorated with icosahedral units at each vertex. No perfect decagonal clusters were observed in the Zn–Mg–Y decagonal quasicrystal, which differs from the Zn–Mg–Dy decagonal crystal with the same space group P10/mmm. Y atoms occupy the center of `dented decagon' motifs consisting of three fat rhombic and two flattened hexagonal tiles. About 75% of fat rhombic tiles are arranged in groups of five forming star motifs, while the others connect with each other in a `zigzag' configuration. This decagonal quasicrystal has a composition of Zn68.3Mg29.1Y2.6 (at.%) with a valence electron concentration (e/a) of about 2.03, which is in accord with the Hume–Rothery criterion for the formation of the Zn-based quasicrystal phase (e/a = 2.0–2.15).




deca

Biochemical and structural explorations of α-hydroxyacid oxidases reveal a four-electron oxidative decarboxylation reaction

p-Hydroxymandelate oxidase (Hmo) is a flavin mononucleotide (FMN)-dependent enzyme that oxidizes mandelate to benzoylformate. How the FMN-dependent oxidation is executed by Hmo remains unclear at the molecular level. A continuum of snapshots from crystal structures of Hmo and its mutants in complex with physiological/nonphysiological substrates, products and inhibitors provides a rationale for its substrate enantioselectivity/promiscuity, its active-site geometry/reactivity and its direct hydride-transfer mechanism. A single mutant, Y128F, that extends the two-electron oxidation reaction to a four-electron oxidative decarboxylation reaction was unexpectedly observed. Biochemical and structural approaches, including biochemistry, kinetics, stable isotope labeling and X-ray crystallo­graphy, were exploited to reach these conclusions and provide additional insights.




deca

Slideshow: Species discovered by Smithsonian researchers the past decade

Smithsonian scientists have discovered hundreds of new species around the world. To mark this year’s International Day for Biological Diversity, May 22, here is a […]

The post Slideshow: Species discovered by Smithsonian researchers the past decade appeared first on Smithsonian Insider.