Browse
Submit Data
Databases
API
Help

Dataset Information

19 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Trans-Di-fluorido-tetra-kis-(pyridine-?N)chromium(III) perchlorate from synchrotron radiation.

ABSTRACT: The are two independent complex cations in the title salt, [CrF2(C5H5N)4]ClO4, each located on a centre of inversion, as well as an independent perchlorate counter-ion. The complex cations adopt slightly distorted octa-hedral coordination environments around the Cr(III) ion, defined by four pyridine (py) N atoms in the equatorial plane and two F(-) ligands in the axial positions; intra-molecular C-H?F contacts are noted. The mean Cr-N(py) and Cr-F bond lengths are 2.088?(6) and 1.8559?(10)?Å, respectively. The three-dimensional architecture is sustained by hydrogen bonds involving the pyridine C-H groups as donors, and F and O atoms as acceptors.

SUBMITTER: Moon D

PROVIDER: S-EPMC3884409 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

trans-Di-fluorido-tetra-kis-(pyridine-κN)chromium(III) perchlorate from synchrotron radiation.

Moon Dohyun D Choi Jong-Ha JH

Acta crystallographica. Section E, Structure reports online 20130823 Pt 9

The are two independent complex cations in the title salt, [CrF2(C5H5N)4]ClO4, each located on a centre of inversion, as well as an independent perchlorate counter-ion. The complex cations adopt slightly distorted octa-hedral coordination environments around the Cr(III) ion, defined by four pyridine (py) N atoms in the equatorial plane and two F(-) ligands in the axial positions; intra-molecular C-H⋯F contacts are noted. The mean Cr-N(py) and Cr-F bond lengths are 2.088 (6) and 1.8559 (10) Å, re ...[more]

PMID: 24427004

Similar Datasets

Bis[trans-di-fluorido-tetra-kis-(pyridine-?N)chromium(III)] sodium tetra-chlorido-zincate perchlorate from synchrotron data.

Project description:The title salt, Na[CrF2(C5H5N)4]2[ZnCl4]ClO4, consists of two cationic Cr(III) complexes, an Na(+) cation, one [ZnCl4](2-) anion and one ClO4 (-) anion. The Cr(III) atoms are coordinated by four pyridine (py) N atoms and two F atoms in a trans arrangement, displaying a distorted octa-hedral geometry. The mean Cr-N(py) and Cr-F bond lengths are 2.086?(8) and 1.864?(14)?Å, respectively. The [ZnCl4](2-) anion has a distorted tetra-hedral geometry. The most notable feature of the crystal packing is the formation of weak pyridine-perchlorate C-H?O hydrogen bonds, resulting in supra-molecular chains along the b-axis direction. The perchlorate anion was disordered over two sets of sites in a 0.868?(3):0.132?(3) ratio.

| S-EPMC4120630 | biostudies-literature

Crystal structure of trans-di-fluoridotetra-kis(pyridine-?N)chromium(III) tri-chlorido-(pyridine-?N)zincate monohydrate from synchrotron data.

Project description:In the asymmetric unit of the title compound, [CrF2(C5H5N)4][ZnCl3(C5H5N)]·H2O, there are two independent complex cations, one tri-chlorido-(pyridine-?N)zincate anion and one solvent water mol-ecule. The cations lie on inversion centers. The Cr(III) ions are coordinated by four pyridine (py) N atoms in the equatorial plane and two F atoms in a trans axial arrangement, displaying a slightly distorted octa-hedral geometry. The Cr-N(py) bond lengths are in the range 2.0873?(14) to 2.0926?(17)?Å while the Cr-F bond lengths are 1.8609?(10) and 1.8645?(10)?Å. The [ZnCl3(C5H5N)](-) anion has a distorted tetra-hedral geometry. The Cl atoms of the anion were refined as disordered over two sets of sites in a 0.631?(9):0.369?(9) ratio. In the crystal, two anions and two water mol-ecules are linked via O-H?Cl hydrogen bonds, forming centrosymmetric aggregates. In addition, weak C-H?Cl, C-H?? and ?-? stacking inter-actions [centroid-centroid distances = 3.712?(2) and 3.780?(2)Å] link the components of the structure into a three-dimensional network.

| S-EPMC4257241 | biostudies-literature

trans-Tetra-kis(4-methyl-pyridine-κN)dioxidorhenium(V) hexa-fluorido-phosphate.

Project description:The title compound, [ReO(2)(C(6)H(7)N)(4)]PF(6), contains octa-hedral [ReO(2)(4-Mepy)(4)](+) cations (4-Mepy is 4-methyl-pyridine) and PF(6) (-) anions. Both the cation and the anion reside on special positions, the Re atom on a crystallographic center of inversion and the P atom on a C(2) axis parallel to the b axis. The Re(V) atom in the cation exhibits an octa-hedral coordination geometry with two O atoms in the apical positions and four N atoms of the 4-Mepy ligands in the equatorial plane. The Re=O and Re-N bond lengths fall in the typical ranges of trans-dioxidorhenium(V) complexes.

| S-EPMC3006941 | biostudies-literature

Crystal structure of trans-di-chlorido-(1,4,8,11-tetra-aza-undecane-?(4) N)chromium(III) perchlorate determined from synchrotron data.

Project description:The structure of the title complex, [CrCl2(2,3,2-tet)]ClO4 (2,3,2-tet is 1,4,8,11-tetra-aza-undecane, C7H20N4), has been determined from synchrotron data. The Cr(III) ion is coordinated by the four N atoms of the 1,4,8,11-tetra-aza-undecane ligand in the equatorial plane and two chloride ions in an axial arrangement, displaying a slightly distorted octa-hedral coordination environment. The two H atoms of the secondary amines are grouped on the same side of the equatorial N4 plane (meso-RS conformation). The Cr-N bond lengths range from 2.069?(2) to 2.084?(2)?Å, while the mean Cr-Cl bond length is 2.325?(2)?Å. The crystal structure is stabilized by inter-molecular hydrogen-bonding inter-actions between the primary and secondary amine groups of the 2,3,2-tet ligands, the Cl ligands and the O atoms of the perchlorate counter-anion, forming corrugated layers parallel to (010).

| S-EPMC4778838 | biostudies-other

Bis[trans-dichloridobis(propane-1,3-diamine-?(2)N,N')chromium(III)] tetra-chloridozincate determined using synchrotron radiation.

Project description:In the title compound, [CrCl(2)(C(3)H(10)N(2))(2)](2)[ZnCl(4)], the Cr(III) atom is coordinated by four N atoms of propane-1,3-diamine (tn) and two Cl atoms in a trans arrangement, displaying a distorted octa-hedral geometry with crystallographic inversion symmetry; the Zn atom in the [ZnCl(4)](2-) anion lies on a -4 axis. The orientations of the two six-membered chelate rings in the complex cation are in an anti chair-chair conformation with respect to each other. The Cr-N bond lengths are 2.087?(6) and 2.097?(6)?Å. The Cr-Cl and Zn-Cl bond lengths are 2.3151?(16) and 2.3255?(13)?Å, respectively. Weak inter-molecular hydrogen bonds involving the tn NH(2) groups as donors and chloride ligands of the anion and cation as acceptors are observed.

| S-EPMC3379173 | biostudies-literature

(2,2'-Bi-pyridine-?(2) N,N')tetra-kis-(dimethyl sulfoxide-?O)copper(II) bis-(perchlorate).

Project description:The title compound, [Cu(C2H6OS)4(C10H8N2)](ClO4)2, contains a Cu(II) ion with a distorted octa-hedral coordination environment, bonded by four O atoms of the monodentate dimethyl sulfoxide ligands and two N atoms of the bidentate chelating 2,2'-bi-pyridine ligand. The equatorial Cu-N and Cu-O bond lengths are in the range 1.979?(2)-1.998?(3)?Å. The axial Cu-O bond distances are 2.365?(2) and 2.394?(2)?Å. In the crystal, the complex cations and perchlorate anions are connected by numerous C-H?O hydrogen bonds, which leads to additional stabilization of the structure. The perchlorate anion is disordered over two sets of sites with a 0.716?(3):0.284?(3) occupancy ratio.

| S-EPMC3793687 | biostudies-literature

Tetra-kis(triphenyl-phosphane-?P)silver(I) tetra-fluorido-borate.

Project description:The title complex, [Ag(C(18)H(15)P)(4)]BF(4), was prepared by the reaction of silver(I) tetra-fluorido-borate and triphenyl-phosphane in the presence of 1,2-bis-(pyridin-2-yl)ethyl-ene. The Ag(I) atom is tetra-hedrally coordinated by four P atoms from triphenyl-phosphane (PPh(3)) ligands. Due to symmetry, the tetra-fluorido-borate anion is disordered over three positions (each with one third occupancy). The tetra-fluorido-borate anion does not coordinate to the Ag(I) atom.

| S-EPMC3344421 | biostudies-literature

Diaqua-tetra-kis-(1,3-di-4-pyridylpropane-κN)-manganese(II) bis-(perchlorate) ses-qui-hydrate.

Project description:In the title complex, [Mn(C(13)H(14)N(2))(4)(H(2)O)(2)](ClO(4))(2)·1.5H(2)O, the Mn(II) ion is coordinated by four N atoms from four different 1,3-di-4-pyridyl-propane mol-ecules and two O atoms from two coordinated water mol-ecules, leading to a distorted MnN(4)O(2) octa-hedral geometry. Each 1,3-di-4-pyridyl-propane ligand displays a monodentate coordinating mode. In the crystal, there exist O-H⋯O, O-H⋯N and C-H⋯O hydrogen bonds. The perchlorate anions and the coordinated and lattice water mol-ecules play an important role in the formation of these hydrogen bonds. One of the two lattice water molecules shows half-occupancy.

| S-EPMC3246966 | biostudies-literature

Tetra-kis(1,10-phenanthroline)bis-(?-pyridine-2,6-dicarboxyl-ato)(pyridine-2,6-di-carboxyl-ato)dicopper(II)terbium(III) nitrate tetra-hydrate.

Project description:The asymmetric unit of the title compound, [Cu(2)Tb(C(7)H(3)NO(4))(3)(C(12)H(8)N(2))(4)]NO(3)·4H(2)O, consists of one-half of the C(2)-symmetric trinuclear coordination cation, one-half of the C(2)-symmetric nitrate anion and two water mol-ecules. In the coordination cation, the Cu(II) atom is coordinated by four N atoms from two 1,10-phenanthroline ligands and two O atoms from a bridging-chelating carboxyl-ate group of the pyridine-2,6-dicarboxyl-ate anion, completing a distorted N(4)O(2) octa-hedral coordination environment. The Tb(III) atom, located on a twofold rotation axis, is nine-coordinated by three tridentate pyridine-2,6-dicarboxyl-ate anions forming an N(3)O(6) donor set. The intra-molecular Cu?Tb distance of 5.0592?(11)?Å indicates weak inter-actions between the Cu(II) and Tb(III) atoms. The coordination cations, nitrate anions and water mol-ecules are connected via O-H?O hydrogen bonds into layers parallel to the (001) plane. Moreover, there are extensive ?-? stacking inter-actions [centroid-centroid distances = 4.332?(7) and 3.878?(5)?Å] between the phenanthroline ligands and between phenanthroline and pyridine-2,6-dicarboxyl-ate ligands.

| S-EPMC3414140 | biostudies-literature

Tetra-kis-(?-benzoato-?O:O')bis{[4-(di-methyl-amino)-pyridine-?N]zinc(II)}.

Project description:In the centrosymmetric binuclear title complex, [Zn(2)(C(7)H(5)O(2))(4)(C(7)H(10)N(2))(2)], the Zn atoms [Zn?Zn = 3.0037?(6)?Å] are bridged by four benzoate ligands. Each of the Zn atoms assumes an approximately square-pyramidal environment, with four O atoms in a plane and the pyridine N atom at the apical site.

| S-EPMC3051476 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data