structure 2018 Meeting of the G20 Global Infrastructure Connectivity Alliance By www.oecd.org Published On :: Thu, 25 Jan 2018 23:56:00 GMT 25-26 January 2018 - The first annual meeting of the G20 Global Infrastructure Connectivity Alliance will bring together policy makers and practitioners to discuss the state of play in global connectivity, innovative practices and the outlook for connectivity. Full Article
structure Seminar on Quality Infrastructure Investment By www.oecd.org Published On :: Wed, 12 Sep 2018 17:23:00 GMT This seminar, jointly organised by the OECD and the Ministry of Finance of Japan, will address quality infrastructure investment, governance, planning and technology issues as well as data collection and benchmarking for quality infrastructure. It is taking place on 12-13 September 2018, in Tokyo, Japan. Full Article
structure 2018 OECD Workshop on Data Collection for Sustainable Infrastructure – Infrastructure Data Initiative By www.oecd.org Published On :: Thu, 15 Nov 2018 11:41:00 GMT 15 November 2018, Paris - This Workshop will bring together academics, public stakeholders and industry experts to discuss using blockchain technology to unlock data for AI and financial sustainability and quality benchmarks Full Article
structure OECD helps countries track and secure climate finance and boost green infrastructure investment and low-carbon technologies By www.oecd.org Published On :: Mon, 26 Nov 2012 19:33:00 GMT The OECD offers impartial data and evidence-based policy advice on scaling-up climate finance, and incentivising green infrastructure investment and low-carbon technologies. Full Article
structure Financing Infrastructure for a Water Secure World By www.oecd.org Published On :: Wed, 26 Nov 2014 16:07:00 GMT Water security is one of the greatest challenges we face today, yet the situation has never looked more perilous. By 2050 the OECD Environmental Outlook projects that nearly 4 billion people will live in river basins under severe water stress, and global nitrogen effluents from wastewater are projected to grow by 180%. Whilst, over the same period, global demand for water is expected to grow by 55%. Full Article
structure Climate-resilient Infrastructure: Getting the Policies Right - Insights blog By www.greengrowthknowledge.org Published On :: Thu, 23 Nov 2017 15:12:00 GMT Infrastructure resilience requires a coordinated policy response to ensure that infrastructure owners and developers have the incentive and capacity to integrate resilience. The framework is aimed at policy makers in OECD countries, but the underlying messages can be applied to other country contexts. Full Article
structure Innovative Approaches to Building Resilient Coastal Infrastructure - Environment Policy Paper By doi.org Published On :: Tue, 18 Sep 2018 12:11:00 GMT This Policy Paper comprises an Issue Brief and Background Report prepared by the OECD for the G7 Environment, Energy and Oceans Ministers (19-21 September 2018, Canada). It outlines the rising risks faced by coastal communities, which are being exacerbated by climate change; and shows how governments can harness innovation to help improve resilience and emphasises the need for close engagement with coastal communities. Full Article
structure Op-Ed on Mobilising investment for low-emissions and resilient infrastructure by Masamichi Kono, OECD Deputy Secretary-General By www.responsible-investor.com Published On :: Mon, 05 Nov 2018 11:53:00 GMT This summer, we witnessed record-breaking heat and extreme weather events across the globe. To address the urgent climate challenge, and meet our broader development goals, trillions of dollars need to be invested in low-emissions and resilient infrastructure. Full Article
structure OECD Progress Update on Approaches to Mobilising Institutional Investment for Sustainable Infrastructure: Background paper to the G20 Sustainable Finance Study Group - Environment Working Paper By doi.org Published On :: Fri, 30 Nov 2018 10:32:00 GMT The large need for investments in sustainable infrastructure will require investments from the private sector, including institutional investors. This paper contributes to scaling up investments by analysing public project-level interventions for projects involving institutional investors; and presents findings from an updated database on institutional investments in environmentally sustainable infrastructure. Full Article
structure Clean power for a cool planet: Electricity infrastructure plans and the Paris Agreement - Environment Working Paper By doi.org Published On :: Mon, 03 Dec 2018 09:49:00 GMT Meeting the temperature goals of the Paris Agreement requires a transformational change in our infrastructure systems. This working paper aims to shed light on the extent to which current electricity generation projects under construction at the global level - the "pipeline" - are consistent with what a low-carbon transition requires. Full Article
structure Policy Perspectives: Climate-resilient infrastructure By doi.org Published On :: Fri, 07 Dec 2018 10:04:00 GMT A co-ordinated policy response is needed to ensure that new and existing infrastructure networks are resilient to climate change. This Policy Paper outlines a framework for achieving this based on the experiences in OECD and G20 countries. It shows how governments and businesses can collaborate to mobilise investment for climate-resilient infrastructure. Full Article
structure Sustainable connectivity: Closing the gender gap in infrastructure - Policy Paper By doi.org Published On :: Wed, 17 Apr 2019 11:25:00 GMT This paper shows how women and men may use infrastructure differently according to their needs, social roles or preferences; and provides a framework to help countries align their infrastructure policies and projects with other societal and environmental goals, including supporting gender equality. Full Article
structure Blockchain technologies as a digital enabler for sustainable infrastructure - Environment Policy Paper By doi.org Published On :: Thu, 05 Sep 2019 18:24:00 GMT Embracing new technologies that could enable drastic reductions in GHG emissions will be key to delivering low-emissions pathways for growth, but it is not always obvious what the big breakthroughs will look like. This report looks at how blockchain technology can be applied to support sustainable infrastructure investment that is aligned with climate change objectives. Full Article
structure Policy Paper: Scaling up climate-compatible infrastructure: Insights from national development banks in Brazil and South Africa By www.oecd-ilibrary.org Published On :: Wed, 30 Oct 2019 15:19:00 GMT National development banks (NDBs) and development finance institutions are poised to play a role in bridging the investment gap for climate-compatible infrastructure in developing countries. This paper highlights the role of NDBs drawing from case studies of the Brazilian Banco Nacional de Desenvolvimento Econômico e Social and the Development Bank of Southern Africa. Full Article
structure Financing Infrastructure for a Water Secure World By www.oecd.org Published On :: Wed, 26 Nov 2014 16:07:00 GMT Water security is one of the greatest challenges we face today, yet the situation has never looked more perilous. By 2050 the OECD Environmental Outlook projects that nearly 4 billion people will live in river basins under severe water stress, and global nitrogen effluents from wastewater are projected to grow by 180%. Whilst, over the same period, global demand for water is expected to grow by 55%. Full Article
structure Call for Papers: Fifth Green Growth Knowledge Platform (GGKP) Annual Conference on Sustainable Infrastructure By www.greengrowthknowledge.org Published On :: Fri, 20 Jan 2017 11:06:00 GMT The Fifth GGKP Annual Conference will be hosted by the World Bank on the topic of sustainable infrastructure, to stimulate research on these issues and foster interdisciplinary dialogue where relevant.The scientific committee therefore calls for contributions on any aspect of the infrastructure agenda, particularly for developing countries, with a focus on sustainability. Deadline for preliminary versions by 15 June 2017. Full Article
structure Mahendra Investment Advisors ... vs Simplex Infrastructures Limited on 24 March, 2020 By indiankanoon.org Published On :: Tue, 24 Mar 2020 00:00:00 +0530 ... for the respondent. The applicant is the respondent in an appeal against a money decree. The applicant apprehends that during the pendency of the appeal, the appellant may dispose of its assets or alienate the same. Since the operation of the decree has not been stayed, it is open to the respondent to levy execution and seek the necessary protection. The injunction sought would not fall within the scope of this appeal. (SANJIB BANERJEE, J.) (I. P. MUKERJI, J.) SG Full Article
structure V4 Infrastructure Pvt Ltd vs Jindal Biochem Pvt Ltd on 5 May, 2020 By indiankanoon.org Published On :: Tue, 05 May 2020 00:00:00 +0530 1. By way of thisjudgement, weshall dispose of the above-noted appeals preferred against the common order dated 19.03.2018, whereby Appellant's (VIPL) objection petitionsunder Section 34 of the Arbitration and Conciliation Act, 1996, (hereinafter 'the Act')have been rejected, and common arbitral award dated 20.05.2017 stands confirmed.This impugned arbitralaward deals with two separate claim petitions preferred by the Appellant relating to respective Space Buyer Agreements(hereinafter 'arbitration agreements')concerning separate portions of same property. Since the objection petitions have been disposed of vide a common judgment, wealso consider it convenient to dispose of theappeals vide a common judgement. Full Article
structure Partick Thistle fume at Scottish Premiership's dismissal of proposal to restructure football pyramid By www.dailymail.co.uk Published On :: Sat, 09 May 2020 22:58:56 GMT A task force had been commissioned to consider a revamped three-division system following the cancellation of the 2019/20 season at Championship level and below, but was disbanded. Full Article
structure Dhariwal Infrastructure Limited vs Maharashtra Electricity ... on 27 February, 2020 By indiankanoon.org Published On :: Thu, 27 Feb 2020 00:00:00 +0530 1. The Appellant is a generator maintaining and operating two units of coal-fired thermal generation plants. For purposes of setting up the said units, the construction work started some time in 2011. It had entered into an arrangement with the second Respondent (Discom) for supply of electricity for purposes of start-up, its need continuing the first unit having been commissioned on 11.02.2014 followed by the second unit commissioned on 02.08.2015. 2. The Appellant was a consumer for start-up power for the period 01.09.2013 to 31.05.2015. By the billing raised for supply of such electricity in terms of the Supply Agreement dated 07.01.2013, the Respondent Discom treated it as a commercial consumer on the reasoning that it would fall in the residual category, referring in this context to the tariff schedule, in absence of any separate category for start-up power consumer being specified in tariff schedule. Full Article
structure The infrastructure of trust By indiatogether.org Published On :: Mon, 16 Jan 2006 00:00:00 +0000 Our governments face mistrust, cynicism, and opposition from citizens, and even good plans are often defeated by this. Therefore, our development plans should focus first not on building physical infrastructure, but on erecting the infrastructure to restore citizens' trust in government. The India Together editorial. Full Article
structure Substance, not mere structure By indiatogether.org Published On :: Mon, 01 Nov 2004 00:00:00 +0000 55 years after Independence, the people, the prime minister, opposition leaders, the Election Commission and the Supreme Court are all crying, day after day, for clean politics. Former High Commissioner to South Africa L C Jain connects the past with the present. Full Article
structure Jharkhand Grapples with Ill-equipped Infrastructure as Covid-19 Cases Among Returning Migrants Rise By www.news18.com Published On :: Sat, 9 May 2020 11:21:21 +0530 Even RIMS, the only state-run super-specialty medical institute in Jharkhand, does not have the required equipment to deal with the crisis. At present, there is one ventilator for every 70,000 people in the state. Full Article
structure The telecommunications industry: the dynamics of market structure / Gerald W. Brock By library.mit.edu Published On :: Sun, 16 Feb 2014 06:33:42 EST Archives, Room Use Only - HE7775.B68 1981 Full Article
structure 'Elegant' solution reveals how universe got its structure By www.newkerala.com Published On :: Tue, 28 Apr 2020 14:42:02 +0530 Full Article
structure Cosmologists gain insights into density, structure of matter in universe By www.newkerala.com Published On :: Wed, 29 Apr 2020 08:12:02 +0530 Full Article
structure The competition between dehydrogenation and dehydration reactions for primary and secondary alcohols over gallia: unravelling the effects of molecular and electronic structure via a two-pronged theoretical/experimental approach By feeds.rsc.org Published On :: Catal. Sci. Technol., 2020, Advance ArticleDOI: 10.1039/C9CY02603G, PaperLorella Izzo, Tommaso Tabanelli, Fabrizio Cavani, Paola Blair Vàsquez, Carlo Lucarelli, Massimo MellaThe relative dehydrogenation/dehydration reactivity imparted by nanostructured gallium(III) oxide on alcohols was investigated via electronic structure calculations, reactivity tests and DRIFT-IR spectroscopy.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
structure Low-dose X-ray structure analysis of cytochrome c oxidase utilizing high-energy X-rays By scripts.iucr.org Published On :: 2019-06-14 To investigate the effect of high-energy X-rays on site-specific radiation-damage, low-dose diffraction data were collected from radiation-sensitive crystals of the metal enzyme cytochrome c oxidase. Data were collected at the Structural Biology I beamline (BL41XU) at SPring-8, using 30 keV X-rays and a highly sensitive pixel array detector equipped with a cadmium telluride sensor. The experimental setup of continuous sample translation using multiple crystals allowed the average diffraction weighted dose per data set to be reduced to 58 kGy, and the resulting data revealed a ligand structure featuring an identical bond length to that in the damage-free structure determined using an X-ray free-electron laser. However, precise analysis of the residual density around the ligand structure refined with the synchrotron data showed the possibility of a small level of specific damage, which might have resulted from the accumulated dose of 58 kGy per data set. Further investigation of the photon-energy dependence of specific damage, as assessed by variations in UV-vis absorption spectra, was conducted using an on-line spectrometer at various energies ranging from 10 to 30 keV. No evidence was found for specific radiation damage being energy dependent. Full Article text
structure A semi-analytical approach for the characterization of ordered 3D nanostructures using grazing-incidence X-ray fluorescence By scripts.iucr.org Published On :: 2020-02-11 Following the recent demonstration of grazing-incidence X-ray fluorescence (GIXRF)-based characterization of the 3D atomic distribution of different elements and dimensional parameters of periodic nanoscale structures, this work presents a new computational scheme for the simulation of the angular-dependent fluorescence intensities from such periodic 2D and 3D nanoscale structures. The computational scheme is based on the dynamical diffraction theory in many-beam approximation, which allows a semi-analytical solution to the Sherman equation to be derived in a linear-algebraic form. The computational scheme has been used to analyze recently published GIXRF data measured on 2D Si3N4 lamellar gratings, as well as on periodically structured 3D Cr nanopillars. Both the dimensional and structural parameters of these nanostructures have been reconstructed by fitting numerical simulations to the experimental GIXRF data. Obtained results show good agreement with nominal parameters used in the manufacturing of the structures, as well as with reconstructed parameters based on the previously published finite-element-method simulations, in the case of the Si3N4 grating. Full Article text
structure Correlated changes in structure and viscosity during gelatinization and gelation of tapioca starch granules By journals.iucr.org Published On :: Melting of the semicrystalline structure of native tapioca starch granules is correlated to solution viscosity for elucidating gelatinization and gelation processes. Full Article text
structure Diffuse scattering and partial disorder in complex structures By journals.iucr.org Published On :: This review discusses the state of the field of single-crystal diffuse scattering (SCDS), including detectors, data collection and the modelling techniques. High quality, three-dimensional volumes of SCDS data can now be collected at synchrotron light sources, allowing increasingly detailed and quantitative analyses to be undertaken. Full Article text
structure Structure and function of dioxygenases in histone demethylation and DNA/RNA demethylation By journals.iucr.org Published On :: The structure and function of dioxygenases in histone demethylation and DNA/RNA dimethylation are discussed. Full Article text
structure Capability of X-ray diffraction for the study of microstructure of metastable thin films By journals.iucr.org Published On :: PLEASE REDUCE TO 1-2 SENTENCES. The capability of X-ray diffraction for the microstructure investigations of metastable systems is illustrated on the example of thin films of titanium aluminium nitrides with high aluminium content, which are supersaturated and partially decomposed. In addition to the chemical composition, the surface mobility of the deposited species was employed as a factor influencing the microstructure of the thin films. It is shown how the micromechanical properties of the partially decomposed (Ti,Al)N thin films, which were deduced from the synchrotron diffraction experiments, are related to the thin film microstructure and to the decomposition mechanism. The prominent role of the crystallographic anisotropy of the macroscopic and microscopic lattice deformations in the understanding of the micromechanical properties is addressed. Full Article text
structure Crystal structure of gluconate 5-dehydrogenase from Lentibacter algarum By scripts.iucr.org Published On :: 2020-04-29 Gluconate 5-dehydrogenase (Ga5DH; EC 1.1.1.69) from Lentibacter algarum (LaGa5DH) was recombinantly expressed in Escherichia coli and purified to homogeneity. The protein was crystallized and the crystal structure was solved at 2.1 Å resolution. The crystal belonged to the monoclinic system, with space group P1 and unit-cell parameters a = 55.42, b = 55.48, c = 79.16 Å, α = 100.51, β = 105.66, γ = 97.99°. The structure revealed LaGaDH to be a tetramer, with each subunit consisting of six α-helices and three antiparallel β-hairpins. LaGa5DH has high structural similarity to other Ga5DH proteins, demonstrating that this enzyme is highly conserved. Full Article text
structure Crystal structure of the nucleoid-associated protein Fis (PA4853) from Pseudomonas aeruginosa By scripts.iucr.org Published On :: 2020-04-29 Factor for inversion stimulation (Fis) is a versatile bacterial nucleoid-associated protein that can directly bind and bend DNA to influence DNA topology. It also plays crucial roles in regulating bacterial virulence factors and in optimizing bacterial adaptation to various environments. Fis from Pseudomonas aeruginosa (PA4853, referred to as PaFis) has recently been found to be required for virulence by regulating the expression of type III secretion system (T3SS) genes. PaFis can specifically bind to the promoter region of exsA, which functions as a T3SS master regulator, to regulate its expression and plays an essential role in transcription elongation from exsB to exsA. Here, the crystal structure of PaFis, which is composed of a four-helix bundle and forms a homodimer, is reported. PaFis shows remarkable structural similarities to the well studied Escherichia coli Fis (EcFis), including an N-terminal flexible loop and a C-terminal helix–turn–helix (HTH) motif. However, the critical residues for Hin-catalyzed DNA inversion in the N-terminal loop of EcFis are not conserved in PaFis and further studies are required to investigate its exact role. A gel-electrophoresis mobility-shift assay showed that PaFis can efficiently bind to the promoter region of exsA. Structure-based mutagenesis revealed that several conserved basic residues in the HTH motif play essential roles in DNA binding. These structural and biochemical studies may help in understanding the role of PaFis in the regulation of T3SS expression and in virulence. Full Article text
structure Structure of the 4-hydroxy-tetrahydrodipicolinate synthase from the thermoacidophilic methanotroph Methylacidiphilum fumariolicum SolV and the phylogeny of the aminotransferase pathway By scripts.iucr.org Published On :: 2020-04-28 The enzyme 4-hydroxy-tetrahydrodipicolinate synthase (DapA) is involved in the production of lysine and precursor molecules for peptidoglycan synthesis. In a multistep reaction, DapA converts pyruvate and l-aspartate-4-semialdehyde to 4-hydroxy-2,3,4,5-tetrahydrodipicolinic acid. In many organisms, lysine binds allosterically to DapA, causing negative feedback, thus making the enzyme an important regulatory component of the pathway. Here, the 2.1 Å resolution crystal structure of DapA from the thermoacidophilic methanotroph Methylacidiphilum fumariolicum SolV is reported. The enzyme crystallized as a contaminant of a protein preparation from native biomass. Genome analysis reveals that M. fumariolicum SolV utilizes the recently discovered aminotransferase pathway for lysine biosynthesis. Phylogenetic analyses of the genes involved in this pathway shed new light on the distribution of this pathway across the three domains of life. Full Article text
structure Structure of a single-chain H2A/H2B dimer By scripts.iucr.org Published On :: 2020-04-28 Chromatin is the complex assembly of nucleic acids and proteins that makes up the physiological form of the eukaryotic genome. The nucleosome is the fundamental repeating unit of chromatin, and is composed of ∼147 bp of DNA wrapped around a histone octamer formed by two copies of each core histone: H2A, H2B, H3 and H4. Prior to nucleosome assembly, and during histone eviction, histones are typically assembled into soluble H2A/H2B dimers and H3/H4 dimers and tetramers. A multitude of factors interact with soluble histone dimers and tetramers, including chaperones, importins, histone-modifying enzymes and chromatin-remodeling enzymes. It is still unclear how many of these proteins recognize soluble histones; therefore, there is a need for new structural tools to study non-nucleosomal histones. Here, a single-chain, tailless Xenopus H2A/H2B dimer was created by directly fusing the C-terminus of H2B to the N-terminus of H2A. It is shown that this construct (termed scH2BH2A) is readily expressed in bacteria and can be purified under non-denaturing conditions. A 1.31 Å resolution crystal structure of scH2BH2A shows that it adopts a conformation that is nearly identical to that of nucleosomal H2A/H2B. This new tool is likely to facilitate future structural studies of many H2A/H2B-interacting proteins. Full Article text
structure Structure-based screening of binding affinities via small-angle X-ray scattering By scripts.iucr.org Published On :: 2020-05-06 Protein–protein and protein–ligand interactions often involve conformational changes or structural rearrangements that can be quantified by solution small-angle X-ray scattering (SAXS). These scattering intensity measurements reveal structural details of the bound complex, the number of species involved and, additionally, the strength of interactions if carried out as a titration. Although a core part of structural biology workflows, SAXS-based titrations are not commonly used in drug discovery contexts. This is because prior knowledge of expected sample requirements, throughput and prediction accuracy is needed to develop reliable ligand screens. This study presents the use of the histidine-binding protein (26 kDa) and other periplasmic binding proteins to benchmark ligand screen performance. Sample concentrations and exposure times were varied across multiple screening trials at four beamlines to investigate the accuracy and precision of affinity prediction. The volatility ratio between titrated scattering curves and a common apo reference is found to most reliably capture the extent of structural and population changes. This obviates the need to explicitly model scattering intensities of bound complexes, which can be strongly ligand-dependent. Where the dissociation constant is within 102 of the protein concentration and the total exposure times exceed 20 s, the titration protocol presented at 0.5 mg ml−1 yields affinities comparable to isothermal titration calorimetry measurements. Estimated throughput ranges between 20 and 100 ligand titrations per day at current synchrotron beamlines, with the limiting step imposed by sample handling and cleaning procedures. Full Article text
structure Solution structure and assembly of β-amylase 2 from Arabidopsis thaliana By journals.iucr.org Published On :: Solution structure of β-amylase 2 from Arabidopsis thaliana shows the role of the conserved N-terminus in enzyme tetramer formation. Full Article text
structure The crystal structure of the heme d1 biosynthesis-associated small c-type cytochrome NirC reveals mixed oligomeric states in crystallo By journals.iucr.org Published On :: The crystal structure of the c-type cytochrome NirC from Pseudomonas aeruginosa has been determined and reveals the simultaneous presence of monomers and 3D domain-swapped dimers in the same asymmetric unit. Full Article text
structure Crystal and solution structures of fragments of the human leucocyte common antigen-related protein By journals.iucr.org Published On :: The crystal and solution SAXS structures of a fragment of human leucocyte common antigen-related protein show that it is less flexible than the homologous proteins tyrosine phosphatase receptors δ and σ. Full Article text
structure Structure of P46, an immunodominant surface protein from Mycoplasma hyopneumoniae: interaction with a monoclonal antibody By journals.iucr.org Published On :: Structures of the immunodominant protein P46 from M. hyopneumoniae has been determined by X-ray crystallography and it is shown that P46 can bind a diversity of oligosaccharides, particularly xylose, which exhibits a very high affinity for this protein. Structures of a monoclonal antibody, both alone and in complex with P46, that was raised against M. hyopnemoniae cells and specifically recognizes P46 are also reported. Full Article text
structure Bond-valence analyses of the crystal structures of FeMo/V cofactors in FeMo/V proteins By journals.iucr.org Published On :: The bond-valence method was performed on 51 crystal data sets from nitrogenase proteins, indicating the presence of molybdenum(III) in FeMo cofactors and vanadium(III) with more reduced iron complements in FeV cofactors. Full Article text
structure Structure of ClpC1-NTD in complex with the anti-TB natural product ecumicin reveals unique binding interactions By journals.iucr.org Published On :: Comparison of the structures of ClpC1-Ecumicin and ClpC1-Rufomycin reveals unique interaction relevant to the mode of action. Full Article text
structure Structure–function study of AKR4C14, an aldo-keto reductase from Thai Jasmine rice (Oryza sativa L. ssp. Indica cv. KDML105) By journals.iucr.org Published On :: Rice AKR in the apo structure reveals the ordered open conformation and its key residues which form the substrate channel wall and determine its substrate preference for straight-chain aldehydes. Full Article text
structure Structure of Thermococcus litoralis Δ1-pyrroline-2-carboxylate reductase in complex with NADH and L-proline By journals.iucr.org Published On :: The paper reports the structure of a Δ1-pyrroline-2-carboxylate reductase from the archaeon Thermococcus litoralis, a key enzyme involved in the second step of trans-4-Hydroxy-L-proline metabolism, conserved in archaea, bacteria and humans. Full Article text
structure Crystal structure of bis(1-ethyl-1H-imidazole-κN3)(meso-tetramesitylporphyrinato-κ4N,N',N'',N''')iron(III) perchlorate chlorobenzene sesquisolvate By scripts.iucr.org Published On :: 2019-05-31 In the complex cation of title compound, [Fe(C56H52N4)(C5H8N2)2]ClO4·1.5C6H5Cl, the ironIII atom is coordinated in a distorted octahedral manner by four pyrrole N atoms of the porphyrin ring system in the equatorial plane, and by two N atoms of the 1-ethylimidazole ligands in the axial sites. A disordered perchlorate anion and one and a half chlorobenzene solvent molecules are also present. The cationic complex exhibits a highly ruffled porphyrin core. The average Fe—Np (Np is a porphyrin N atom) bond length is 1.988 (5), and the axial Fe—NIm (NIm is an imidazole N atom) bond lengths are 1.962 (3) and 1.976 (3) Å. The two 1-ethylimidazole ligands are inclined to each other by a dihedral angle of 68.62 (16)°. The dihedral angles between the 1-ethylimidazole planes and the planes of the closest Fe—Np vector are 28.52 (18) and 43.57 (13)°. Intermolecular C—H⋯Cl interactions are observed. Full Article text
structure Redetermination of the crystal structure of BaTeO3(H2O), including the localization of the hydrogen atoms By scripts.iucr.org Published On :: 2019-05-31 The redetermination of the crystal structure of barium oxidotellurate(IV) monohydrate allowed the localization of the hydrogen atoms that were not determined in the previous study [Nielsen, Hazell & Rasmussen (1971). Acta Chem. Scand. 25, 3037–3042], thus making an unambiguous assignment of the hydrogen-bonding scheme possible. The crystal structure shows a layered arrangement parallel to (001), consisting of edge-sharing [BaO6(H2O)] polyhedra and flanked by isolated [TeO3] trigonal pyramids on the top and bottom. O—H⋯O hydrogen bonds of medium strength link adjacent layers along [001]. Full Article text
structure Crystal structure of bis(benzoato-κO)[5,15-diphenyl-10,20-bis(pyridin-4-yl)porphyrinato-κ4N,N',N'',N''']tin(IV) By scripts.iucr.org Published On :: 2019-07-08 In the crystal structure of the title compound, [Sn(C42H26N6)(C7H5O2)2], the SnIV ion is located on a crystallographic inversion centre and is octahedrally coordinated with an N4O2 set. Four N atoms of the porphyrin ring form the equatorial plane while the axial positions are occupied by two O atoms from benzoate anions. The molecular packing of the title complex involves non-classical hydrogen bonds of the types C—H⋯O and C—H⋯N, leading to a three-dimensional network structure. Full Article text
structure Crystal structure of a salt with a protonated sugar cation and a cobalt(II) complex anion: (GlcN–H, K)[Co(NCS)4]·2H2O By scripts.iucr.org Published On :: 2019-09-06 The title compound, d-(+)-glucosammonium potassium tetrathiocyanatocobaltate(II) dihydrate, K(C6H14NO5)[Co(NCS)4]·2H2O or (GlcNH)(K)[Co(NCS)4]·2H2O, has been obtained as a side product of an incomplete salt metathesis reaction of d-(+)-glucosamine hydrochloride (GlcN·HCl) and K2[Co(NCS)4]. The asymmetric unit contains a d-(+)-glucosammonium cation, a potassium cation, a tetraisothiocyanatocobalt(II) complex anion and two water molecules. The water molecules coordinate to the potassium cation, which is further coordinated via three short K+⋯SCN− contacts involving three [Co(NCS)4]2− complex anions and via three O atoms of two d-(+)-glucosammonium cations, leading to an overall eightfold coordination around the potassium cation. Hydrogen-bonding interactions between the building blocks consolidate the three-dimensional arrangement. Full Article text