Di-μ-acetato-μ-aqua-bis­[acetatobis(1H-benzimidazole)cobalt(II)]

In the title compound, [Co2(C2H3O2)4(C7H6N2)4(H2O)], the half-mol­ecule in the asymmetric unit is completed by a crystallographic twofold rotation axis to give the full mol­ecule. The CoII ions are approximately octahedrally coordinated with a cis-N2O4 coordination sphere. The compound features intra­molecular O—H⋯O hydrogen bonds between the non-bridging acetate groups and the bridging water mol­ecule, and inter­molecular N—H⋯O hydrogen bonds between the acetates and amine H atoms of the benzimidazoles which determine the mol­ecular packing in the crystal structure

Chelation-driven fluorescence deactivation in three alkali earth metal MOFs containing 2,2’-dihydroxybiphenyl-4,4’-dicarboxylate

First published online 04 Sep 2013Three new metal-organic frameworks (MOFs) have been synthesised from alkali earth metal ions of increasing ionic radii (Mg, Ca and Sr) and 2,2’-dihydroxybiphenyl-4,4’-dicarboxylic acid (H4diol). The distinct coordination environments, framework topologies and the non-coordinated diol moieties accessed are a result of using differently sized metal ions for MOF synthesis which affects the ability of the diol moieties to chelate the metal. Detailed structural analysis of [Sr3(H2diol)3(DMF)5], [Ca3.5(Hdiol)(H2diol)2(DMF)5] and [Mg(H2diol)(DMF)2] show distinctive variations in variable temperature expansion/contraction properties and porosity. In addition, [Sr3(H2diol)3(DMF)5] and [Ca3.5(Hdiol)(H2diol)2(DMF)5] display a broad fluorescence emission (λmax = ~435 nm) under ultraviolet light due to the presence of non-coordinated biphenyl-diol moieties within the structures, while chelation of Mg by the diol pocket in [Mg(H2diol)(DMF)2] leads to quenching of the ligand fluorescence.Damien Rankine, Tony D. Keene, Christopher J. Sumby and Christian J. Doona

A multimodal cell census and atlas of the mammalian primary motor cortex

ABSTRACT We report the generation of a multimodal cell census and atlas of the mammalian primary motor cortex (MOp or M1) as the initial product of the BRAIN Initiative Cell Census Network (BICCN). This was achieved by coordinated large-scale analyses of single-cell transcriptomes, chromatin accessibility, DNA methylomes, spatially resolved single-cell transcriptomes, morphological and electrophysiological properties, and cellular resolution input-output mapping, integrated through cross-modal computational analysis. Together, our results advance the collective knowledge and understanding of brain cell type organization: First, our study reveals a unified molecular genetic landscape of cortical cell types that congruently integrates their transcriptome, open chromatin and DNA methylation maps. Second, cross-species analysis achieves a unified taxonomy of transcriptomic types and their hierarchical organization that are conserved from mouse to marmoset and human. Third, cross-modal analysis provides compelling evidence for the epigenomic, transcriptomic, and gene regulatory basis of neuronal phenotypes such as their physiological and anatomical properties, demonstrating the biological validity and genomic underpinning of neuron types and subtypes. Fourth, in situ single-cell transcriptomics provides a spatially-resolved cell type atlas of the motor cortex. Fifth, integrated transcriptomic, epigenomic and anatomical analyses reveal the correspondence between neural circuits and transcriptomic cell types. We further present an extensive genetic toolset for targeting and fate mapping glutamatergic projection neuron types toward linking their developmental trajectory to their circuit function. Together, our results establish a unified and mechanistic framework of neuronal cell type organization that integrates multi-layered molecular genetic and spatial information with multi-faceted phenotypic properties

Crystal structure and Hirshfeld surface of a pentaaminecopper(II) complex with urea and chloride

The reaction of copper(II) oxalate and hexamethylenetetramine in a deep eutectic solvent made of urea and choline chloride produced crystals of pentaaminecopper(II) dichloride–urea (1/1), [Cu(NH3)5]Cl2·CO(NH2)2, which was characterized by single-crystal X-ray diffraction. The complex contains discrete pentaaminecopper(II) units in a square-based pyramidal geometry. The overall structure of the multi-component crystal is dictated by hydrogen bonding between urea molecules and amine H atoms with chloride anions

trans-bis(2-aminoanilinium-kappa N-2)bis(oxalato-kappa O-2,O')copper(II)

The title compound, [Cu(C2O4)(2)(C6H9N2)(2)], crystallizes in the space group P2(1)/c, with the Cu atom located at a centre of symmetry. It is a neutral coordination complex in which the metal exhibits a tetragonally elongated octahedral trans-CuO4N2 coordination environment. Extensive intermolecular hydrogen bonding between the oxalate anions and the ammonium cations determines the molecular packing in the crystal

Recurrent H-bond graph motifs between metal tris-ethylenediamine cations and uncoordinated oxalate anions: fitting a three pin plug into a two pin socket

The structures of four new compositionally related compounds are described; [Cu(en)(2)(H2O)(2)][ox] (1), [Cu(en)(3)][ox] (2), [Co(en)(3)](2)[ox](3)(H2O)(3.61) (3), and [Co(en(3))](2)[ox](3)(H2O)(7) (4) [en = 1,2-ethylenediamine, ox oxalate]. These materials all inhabit the broader structural landscape for compounds with a generic M-p(ox)(q)(en)(r)(H2O)(s) composition. Here the competing nature of the ligands; ethylenediamine, oxalate and water, results in complex solution chemistry. In addition the very different structure directing effects of each type of ligand yield a range of crystal architectures. In the present cases ethylenediamine displaces the oxalate dianion, which is non-coordinated in each of these compounds. Compound 3 has disordered water of crystallisation, and is a non-stiochoimetric hydrate, while compound 4 shows a correlated disorder in both ligand conformation and water site occupancies. The H-bond motifs linking pseudo 3-fold symmetric M(en)(3)(n+) cations to pseudo 2-fold symmetric ox(2-) anions shows frequent occurrence of particular motifs; notably the R-2(2)(8) and R-2(2)(9) graphs and a tendency to form bifurcated hydrogen bonds. The oxalate geometric parameters of twist and C-C bond length in our compounds are correlated with data from related structures in the CSD

Poly[methylamine-mu-oxalato-copper(II)]

The six-coordinate copper(II) ions in the title compound, [Cu(C2O4)(CH5N)], experience a Jahn-Teller distortion. The structure is a two-dimensional coordination network, with three crystallographically independent oxalate ions, two of them centrosymmetric, bridging Cu-II ions in three different coordination modes. Each Cu ion is also coordinated by methyl-amine which is involved in both intra- and inter-layer hydrogen bonding

Ferromagnetic coupling in a heptanuclear nickel cluster with a vertex-shared dicubane structure

Hydrothermal synthesis under basic conditions has given a new cluster compound, Ni-7(OH)(8)(ox)(3)(pip)(3) (ox = oxalate; pip = piperazine). This hybrid material comprises inorganic Ni-7(OH)(8) clusters, which have a vertex-shared dicubane structure. These units are held together in a 3-dimensional coordination network by organic bridging ligands. Magnetic susceptibility studies suggest a ferromagnetic coupling within the cluster and an antiferromagnetic interaction between neighbouring Ni-7 units. At low temperatures the material appears to undergo a magnetic phase transition to an ordered antiferromagnetic state with T-N = 17 K

Two-dimensional coordination compounds based on Fe(II) and Co(III) hexacyanometallates with Cu(II)(dien) groups: structures and magnetic properties

The crystal structures of two copper(II)(dien) coordination compounds with diamagnetic [Fe(II)(CN)(6)](4) or [Co(III)(CN)(6)](3) bridges were determined from single crystal X-ray diffraction and their magnetic properties investigated by SQUID measurements. The first, {[Cu(dien)](2)[Fe(CN)(6)]}(n)center dot 4n H2O (1), where dien is diethylenetriamine, consists of linear Cu(II)-Fe(II)-Cu(II) trimers. The Cu2+ ions are equatorially coordinated by dien and bridged by a hexacyanoferrate anion. A two-dimensional network is formed through longer axial Cu center dot center dot center dot NC-Fe bonds. The second, {{[(Cu(dien))(2)(pz)](2)[Co(CN)(6)]}[Co(CN)(6)]}(n)center dot 6n H2O (2), where pz is pyrazolate, contains butterfly-shaped Cu(II)(2)-Co(III)-Cu(II)(2) pentamers. The Cu2+ ions are again equatorially coordinated by dien and bridged by pz to form a dimer. Two dimers are linked through a [Co(III)(CN)(6)](3) anion to pentanuclear clusters, which are further connected into a layer via the second site of [Co(III)(CN)(6)](3) anions. Cu2+ has distorted square-pyramidal and octahedral coordination for 1 and 2, respectively, with elongated axial ligand distances due to the Jahn-Teller effect. The magnetic behavior of both compounds is consistent with Cu2+ S = 1/2 dimers, although with different bridging groups to give g = 2.157(2) and 2J/k(B) = -1.14(1) K for 1 and g = 2.15(1) and 2J/k(B) = -37.5(2) K for 2