Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Tris(5,6-dimethyl-1,10-phenanthroline-?(2)N,N')copper(II) bis-(hexa-fluorido-phosphate) acetonitrile monosolvate.

ABSTRACT: In the title compound, [Cu(C(14)H(12)N(2))(3)](PF(6))(2)·CH(3)CN, the [Cu(5,6-dmp)(3)](2+) cationic complex (5,6-dmp is 5,6-dimethyl-1,10-phenanthroline) is stabilized by two hexa-fluorido-phosphate anions and one acetonitrile solvent mol-ecule. The coordination geometry around the Cu(II) atom can be described as distorted elongated octa-hedral with R(out) = 2.277?(2)?Å, R(in) = 2.052?(2)?Å and a tetra-gonality of 0.9011, acquiring a 'static' stereochemistry. In the supra-molecular network, there are inter-molecular C-H?F and C-H?N inter-actions with R(3) (3)(16), R(2) (2)(7), R(1) (2)(4), R(3) (3)(16) and C(3) (2)(7) motifs that lead to an infinite three-dimensional network.

SUBMITTER: Toledano-Magana Y

PROVIDER: S-EPMC3393235 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Tris(5,6-dimethyl-1,10-phenanthroline-κ(2)N,N')copper(II) bis-(hexa-fluorido-phosphate) acetonitrile monosolvate.

Toledano-Magaña Yanis Y García-Ramos Juan-Carlos JC García-Manrique Consuelo C Flores-Alamo Marcos M Ruiz-Azuara Lena L

Acta crystallographica. Section E, Structure reports online 20120630 Pt 7

In the title compound, [Cu(C(14)H(12)N(2))(3)](PF(6))(2)·CH(3)CN, the [Cu(5,6-dmp)(3)](2+) cationic complex (5,6-dmp is 5,6-dimethyl-1,10-phenanthroline) is stabilized by two hexa-fluorido-phosphate anions and one acetonitrile solvent mol-ecule. The coordination geometry around the Cu(II) atom can be described as distorted elongated octa-hedral with R(out) = 2.277 (2) Å, R(in) = 2.052 (2) Å and a tetra-gonality of 0.9011, acquiring a 'static' stereochemistry. In the supra-molecular network, ther ...[more]

PMID: 22807803

Similar Datasets

Tris(1,10-phenanthroline-5,6-dione-?N,N')zinc bis-(perchlorate) acetonitrile monosolvate.

Project description:In the title compound, [Zn(C(12)H(6)N(2)O(2))(3)](ClO(4))(2)·CH(3)CN, the Zn(II) atom is coordinated by six N atoms from three chelating 1,10-phenanthroline-5,6-dione ligands in a distorted octa-hedral environment. In the crystal, inter-molecular C-H?O hydrogen bonds and O?? and N?? inter-actions [O?centroid distances = 2.907?(5) and 2.843?(7)?Å; N?centroid distance = 2.861?(10)?Å] link the complex cations, perchlorate anions and acetonitrile solvent mol-ecules into a three-dimensional network.

| S-EPMC3201451 | biostudies-literature

Dibromido(2,9-dimethyl-1,10-phenanthroline-κ(2)N,N')cobalt(II) acetonitrile monosolvate.

Project description:In the title compound, [CoBr(2)(C(14)H(12)N(2))]·CH(3)CN, the Co(II) atom is four-coordinated in a distorted tetra-hedral geometry by two N atoms from a chelating 2,9-dimethyl-1,10-phenanthroline ligand and two terminal Br atoms. In the crystal, π-π contacts between the pyridine and benzene rings [centroid-centroid distances = 3.828 (5), 3.782 (5), 3.880 (5) and 3.646 (5) Å] stabilize the structure.

| S-EPMC3515147 | biostudies-literature

1,10-Phenanthroline-5,6-dione ethanol monosolvate.

Project description:In the title compound, C12H6N2O2·C2H5OH, the mol-ecule of the 1,10-phenanthroline-5,6-dione is approximately planar, with a maximum deviation of 0.051?(1)?Å. In the crystal, mol-ecules are linked by O-H?N and weak C-H?O hydrogen bonds, forming supra-molecular chains propagating along [110]. ?-? stacking inter-actions are observed between the pyridine rings of neighbouring chains, the centroid-centroid separations being 3.6226?(11) and 3.7543?(11)?Å.

| S-EPMC4011276 | biostudies-literature

Tris(5,6-dimethyl-1,10-phenanthroline-?(2) N,N')iron(II) bis-(tricyano-methanide).

Project description:The title compound, [Fe(C14H12N2)3](C4N3)2, consists of one [Fe(dimephen)3](2+) complex cation (dimephen = 5,6-dimethyl-1,10-phenanthroline) and two uncoordinating tcm anions (tcm = tricyano-methanide). In the complex cation, the Fe(II) atom is coordinated by six N atoms from three chelating dimephen ligands at an average Fe-N distance of 1.963?(4)?Å giving a distorted octa-hedral geometry. The crystal structure is stabilized by weak C-H?N hydrogen bonds and C N?? inter-actions between planar [maximum deviations of 0.024?(3) and 0.015?(3)?Å] tcm anions and pyridine rings of dimephen [N2?centroid = 3.531?(3) and 3.726?(3)?Å; C N?centroid = 96.4?(2) and 97.1?(2)°].

| S-EPMC3588769 | biostudies-literature

An acetonitrile solvatomorph of di-chlorido-(1,10-phenanthroline-5,6-dione)platinum(II).

Project description:In the title complex, [PtCl2(C12H6N2O2)]·CH3CN, the Pt(II) atom lies in a slightly distorted square-planar arrangement defined by an N2Cl2 donor set. In the packed structure, columns of complex moieties are stacked such that the neighboring units are oriented at 180° and laterally displaced with respect to each other. This prevents any overlap of the phenanthroline rings and thus there is no possibility of any π-π inter-actions between aromatic rings.

| S-EPMC4029211 | biostudies-literature

Tris(1,10-phenanthrolin-1-ium) hexa-cyanidoferrate(III) ethanol monosolvate trihydrate.

Project description:The asymmetric unit of the title complex, (C(12)H(9)N(2))(3)[Fe(CN)(6)]·C(2)H(5)OH·3H(2)O, consists of two half [Fe(CN)(6)](3-) anions located on inversion centers, three 1,10-phenanthrolin-1-ium cations, [Hphen](+), an ethanol and three water solvent mol-ecules. The average Fe-C and C-N bond lengths are 1.942?(6) and 1.154?(3)?Å, respectively, while the Fe-C-N angles deviate slightly from linearity with values ranging from 177.8?(2) to 179.7?(2)°. The Fe(III) atoms adopt a distorted octa-hedral geometry. All the species are linked through O-H?N, N-H?O and O-H?O hydrogen-bonding inter-actions, resulting in a three-dimensional supra-molecular network.

| S-EPMC3344416 | biostudies-literature

Tris(1,10-phenanthroline-?(2)N,N')iron(II) bis-[(1,10-phenanthroline-?(2)N,N')tetra-kis-(thio-cyanato-?N)chromate(III)] acetonitrile tris-olvate monohydrate.

Project description:Single crystals of the title heterometallic compound, [Fe(C(12)H(8)N(2))(3)][Cr(NCS)(4)(C(12)H(8)N(2))](2)·3CH(3)CN·H(2)O or [Fe(Cphen)(3)][Cr(NCS)(4)(phen)](2)·3CH(3)CN·H(2)O, were pre-pared using the one-pot open-air reaction of iron powder, Reineckes salt and 1,10-phenanthroline (phen) in acetonitrile. The asymetric unit consists of an [Fe(phen)(3)](2+) cation, two [Cr(phen)(NCS)(4)](-) anions, three acetonitrile solvent mol-ecules and a water mol-ecule. The Fe and Cr atoms both show a slightly distorted octa-hedral FeN(6) and CrN(6) coordination geometry with adjacent angles in the range 79.67?(12)-95.21?(12)°. No classical hydrogen bonding involving the water molecule is observed.

| S-EPMC3344293 | biostudies-literature

Tris(1,10-phenanthroline-?(2) N,N')nickel(II) hexa-oxido-?-peroxido-disulfate-(VI) N,N-dimethyl-formamide disolvate monohydrate.

Project description:The asymmetric unit of the title complex, [Ni(C12H8N2)3]S2O8·2C3H7NO·H2O, consists of a complex [Ni(phen)3](2+) cation and one isolated pds anion, with two DMF mol-ecules and one water mol-ecule as solvates (where phen is 1,10-phenanthroline, pds is the hexa-oxido-?-peroxoido-di-sulf-ate dianion and DMF is dimethyl-formamide). The [Ni(phen)3](2+) cation is regular, with an almost ideal Ni(II) bond-valence sum of 2.07 v.u. The group, as well as the water solvent mol-ecule, are well behaved in terms of crystallographic order, but the remaining three mol-ecules in the structure display different kinds of disorder, viz. the two DMF mol-ecules mimic a twofold splitting and the pds anion has both S atoms clamped at well-determined positions but with a not-too-well-defined central part. These peculiar behaviours are a consequence of the hydrogen-bonding inter-actions: the outermost SO3 parts of the pds anion are heavily connected to the complex cations via C-H?O hydrogen bonding, generating an [Ni(phen)3]pds network and providing for the stability of the terminal pds sites. Also, the water solvent mol-ecule is strongly bound to the structure (being a donor of two strong bonds and an acceptor of one) and is accordingly perfectly ordered. The peroxide O atoms in the pds middle region, instead, appear as much less restrained into their sites, which may explain their tendency to disorder. The cation-anion network leaves large embedded holes, amounting to about 28% of the total crystal volume, which are occupied by the DMF mol-ecules. The latter are weakly inter-acting with the rest of the structure, which renders them much more labile and, accordingly, prone to disorder.

| S-EPMC3588241 | biostudies-literature

fac-[1,2-Bis(pyridin-4-yl)ethane-?N]tricarbon-yl(1,10-phenanthroline-?(2) N,N')rhenium(I) hexa-fluorido-phosphate aceto-nitrile monosolvate.

Project description:The asymmetric unit of the title compound, [Re(C12H8N2)(C12H12N2)(CO)3]PF6.·CH3CN, contains one cation, one hexa-fluorido-phosphate anion and one aceto-nitrile solvent mol-ecule. The Re(I) ion is coordinated by two N atoms from the 1,10-phenanthroline ligand and one N atom from the 1,2-bis-(pyridin-4-yl)ethane ligand [mean Re-N = 2.191?(15)?Å] and by three carbonyl ligands [mean Re-C = 1.926?(3)?Å] in a distorted octa-hedral geometry. The electrostatic forces and weak C-H?F(O) hydrogen bonds pack cations and anions into the crystal with voids of 82?Å(3), which are filled by solvent mol-ecules. The crystal packing exhibits short inter-molecular O?O distance of 2.795?(5)?Å between two cations related by inversion.

| S-EPMC4120603 | biostudies-literature

Acetonitrile-bis-(2,9-dimethyl-1,10-phen-an-throline)copper(II) bis-(tetra-fluorido-borate).

Project description:The title compound, [Cu(CH(3)CN)(C(12)H(12)N(2))(2)](BF(4))(2), crystallizes with two copper-containing cations and four tetra-fluoro-borate anions in the asymmetric unit. The structure represents a second crystal form of the salt, the first being an acetonitrile solvate [Watton (2009 ?). Acta Cryst. E65, m585-m586]. The complex cation has a distorted trigonal-bipyramidal geometry, whereas the previous structure exhibits a distorted square-pyramidal geometry. One of the four BF(4) (-) counter-ions is disordered, with a refined site occupancy of 0.8615?(17):0.1385?(17).

| S-EPMC3009076 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

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