Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structures of the water and acetone monosolvates of bis-[4'-(pyridin-4-yl)-2,2':6',2''-terpyridine]-manganese(II) bis-(hexa-fluorido-phosphate).

ABSTRACT: The crystal structures of bis-[4'-(pyridin-4-yl)-2,2':6',2''-terpyridine]-man-gan-ese(II) bis-(hexa-fluorido-phosphate) monohydrate, [Mn(C20H14N4)2](PF6)2·H2O, (1), and bis-[4'-(pyridin-4-yl)-2,2':6',2''-terpyridine]-manganese(II) bis(hexa-fluorido-phosphate) acetone monosolvate, (2), [Mn(C20H14N4)2](PF6)2·CH3COCH3, are described. At 150 K, (1) and (2) have monoclinic (P21/c) and ortho-rhom-bic (C2221) symmetries, respectively. Both structures exhibit octahedrally coordinated Mn(II) atoms and disorder. They display weak inter-actions, such as C-H⋯F, C-H⋯N, C-H⋯π, F⋯π and π-π. The twofold rotation axis in the molecule of (2) is coincident with a twofold rotation axis of the crystal.

SUBMITTER: Lourenco LM

PROVIDER: S-EPMC4438851 | biostudies-literature | 2015 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Crystal structures of the water and acetone monosolvates of bis-[4'-(pyridin-4-yl)-2,2':6',2''-terpyridine]-manganese(II) bis-(hexa-fluorido-phosphate).

Lourenço Leandro M O LM Almeida Paz Filipe A FA Fernandes José A JA

Acta crystallographica. Section E, Crystallographic communications 20150304 Pt 4

The crystal structures of bis-[4'-(pyridin-4-yl)-2,2':6',2''-terpyridine]-man-gan-ese(II) bis-(hexa-fluorido-phosphate) monohydrate, [Mn(C20H14N4)2](PF6)2·H2O, (1), and bis-[4'-(pyridin-4-yl)-2,2':6',2''-terpyridine]-manganese(II) bis(hexa-fluorido-phosphate) acetone monosolvate, (2), [Mn(C20H14N4)2](PF6)2·CH3COCH3, are described. At 150 K, (1) and (2) have monoclinic (P21/c) and ortho-rhom-bic (C2221) symmetries, respectively. Both structures exhibit octahedrally coordinated Mn(II) atoms and di ...[more]

PMID: 26029382

Similar Datasets

Bis(2,2'-bipyridine)(pyridin-2-olato)ruthenium(II) hexa-fluorido-phosphate benzene hemisolvate.

Project description:In the title compound, [Ru(C(5)H(4)NO)(C(10)H(8)N(2))(2)]PF(6)·0.5C(6)H(6), the Ru(2+) cation has a distorted octa-hedral RuN(5)O coordination environment. This complex is more distorted than the closely related ruthenium complex containing a pyridine-2-thiol-ate ligand [Santra et al. (1997 ▶). J. Chem. Soc. Dalton Trans. pp. 1387-1393]. The distortion is caused by the difference in size between the O and S atoms. The benzene solvent mol-ecule is situated on a twofold rotation axis.

| S-EPMC3238613 | biostudies-literature

Aqua-[2-(2-pyrid-yl)-1,8-naphthyridine-κN,N](2,2':6',2''-terpyridine-κN,N',N'')ruthenium(II) bis-(hexa-fluorido-phosphate) acetone sesquisolvate.

Project description:The asymmetric unit of the title compound, [Ru(C(13)H(9)N(3))(C(15)H(11)N(3))(H(2)O)](PF(6))(2)·1.5C(3)H(6)O, consists of two crystallographically independent Ru(II) complexes. Each complex is approximately octa-hedral with the Ru(II) atom bound by an N,N'-coordinated 2-(2-pyrid-yl)-1,8-naphthyridine (pynp) ligand, a meridional 2,2':6',2''-terpyridine (tpy) ligand and one aqua ligand. The tpy ligand is coordinated in a planar tridentate fashion with the central N atom closest to the Ru(II) atom. The aqua ligand is trans to the pyridine N atom of pynp. The long Ru-O distances [2.150 (5) and 2.138 (5) Å] are typical for aqua ligands in polypyridyl ruthenium complexes. In the crystal, both intra-molecular O-H⋯N and inter-molecular O-H⋯O hydrogen bonds are observed.

| S-EPMC3120306 | biostudies-literature

μ-Oxido-bis-{chlorido[tris-(2-pyridylmethyl)amine]manganese(III)} bis-(hexa-fluorido-phosphate).

Project description:In the title compound, [Mn(2)O(C(18)H(18)ClN(4))(2)](PF(6))(2), the Mn atom is chelated by a tetra-dentate ligand via four N atoms, and further bonded to one chloride ion and one bridging oxide, to give a centrosymmetric cation and distorted octa-hedral coordination geometry.

| S-EPMC2915134 | biostudies-literature

cis-Bis(2,2'-bipyridine-κ(2) N,N')carbonyl-chloridoruthenium(II) hexa-fluorido-phosphate.

Project description:In the title compound, [RuCl(C10H8N2)2(CO)]PF6, the Ru(II) atom is coordinated in a distorted octa-hedral geometry by four N atoms of the bipyridine ligands, a carbonyl C atom and a chloride ion. The carbonyl and chloride ligands in the cation adopt a mutually cis arrangement and these are disordered over two sets of sites with site occupancies of 0.721 (6) and 0.279 (6). The Ru-N bond length [2.117 (2) Å] trans to the carbonyl ligand is slightly longer than the average of the other Ru-N bond lengths (2.08 Å), which can be explained by the expected trans influence of the carbonyl group. In the crystal, weak C-H⋯F inter-actions are observed between the complex cation and the PF6(-) anion, leading to the formation of a three-dimensional supramolecular structure. The crystal studied was an inversion twin with twin fractions of 0.78 (4) and 0.22 (4).

| S-EPMC3588243 | biostudies-literature

Bis[3,5-di-fluoro-2-(pyridin-2-yl)phen-yl](4,4'-di-meth-oxy-2,2'-bi-pyridine)-iridium(III) hexa-fluorido-phosphate.

Project description:The title cyclo-metalated distorted octa-hedral iridium complex, [Ir(C11H6F2N)2(C12H12N2O2)]PF6, exhibits elongated Ir-N bonds to the dimeth-oxy bi-pyridine ligand [2.128 (3) and 2.136 (3) Å] where these nitro-gen atoms are trans to the Ir-C bonds of the two cyclo-metalating di-fluoro-phenyl-pyridine ligands. The angles between the mean planes of the phenyl and pyridyl fragments within the individual ligands range from 3.5 (2) to 11.4 (2)° to deviate slightly from coplanarity.

| S-EPMC9635420 | biostudies-literature

Bis[5-(pyridin-2-yl)pyrazine-2-carbo-nitrile-κN,N]silver hexa-fluorido-phosphate.

Project description:In the mononuclear title complex, [Ag(C(10)H(6)N(4))(2)]PF(6), two κ(2)N,N'-chelating 5-(pyridin-2-yl)pyrazine-2-carbonitrile ligands surround the Ag(I) atom, forming a distorted N(4) tetra-hedral coordination geometry. The mononuclear units are inter-connected through π-π inter-actions [centroid-centroid distances = 3.801 (2) and 3.979 (3) Å] and the hexa-fluoridophosphate anions are embedded within the inter-stices. C N⋯π inter-actions [N⋯centroid = 3.519 (2) Å] and C-H.⋯N hydrogen-bonding inter-actions also occur.

| S-EPMC3254278 | biostudies-literature

Bis{μ-4,4'-dimeth-oxy-2,2'-[propane-1,2-diylbis(nitrilo-methyl-idyne)]diphenolato}bis-({4,4'-dimeth-oxy-2,2'-[propane-1,2-diylbis(nitrilo-methyl-idyne)]diphenol}manganese(III)) bis-(hexa-fluorido-phosphate).

Project description:In the title complex, [Mn(2)(C(19)H(20)N(2)O(4))(2)(C(19)H(22)N(2)O(4))(2)](PF(6))(2), the Mn(III) ion is coordinated by two O [Mn-O = 1.855 (2) and 1.887 (2) Å] and two N [Mn-N = 1.982 (3) and 1.977 (3) Å] atoms from the tetra-dentate Schiff base ligand and a coordinated axial ligand [Mn-O = 2.129 (2) Å]. The centrosymmetric dimer contains two Jahn-Teller-distorted Mn(III) ions, each in a nearly octa-hedral geometry, connected through two phenolate bridges from two ligands. There are two stereogenic centers. The methyl group and the H atom attached to the middle propane C atom are disordered over two positions with occupancy factors in the ratio 0.58:0.42. The crystal is therefore a mixture of two diasteroisomers, viz. RS/SR and RR/SS. In the axial ligand, the two benzene rings form a dihedral angle of 56.97 (5)° and the dihedral angle between the two MnNC(3)O chelate rings is 2.98 (12)°

| S-EPMC2977226 | biostudies-literature

Bis{4'-[(2,3,5,6,8,9,11,12-octa-hydro-1,4,7,10,13-benzopenta-oxacyclo-penta-decin-15-yl)meth-oxy]-2,2':6',2''-terpyridine}cadmium(II) bis-(hexa-fluorido-phosphate) trihydrate: a powder study.

Project description:The asymmetric unit of the title compound, [Cd(C(30)H(31)N(3)O(6))(2)](PF(6))(2)·3H(2)O, contains one half-cation with the Cd(II) center situated on a twofold rotational axis, one hexa-fluoridophosphate anion and two uncoordinated water mol-ecules, one of which is also situated on a twofold rotational axis. The cations are associated into columns along the a axis through ?-? inter-actions between the pyridine and benzene rings, with a centroid-centroid distance of 3.72?(5)?Å. Inter-molecular O-H?O, C-H?O and C-H?F hydrogen bonds consolidate the crystal packing.

| S-EPMC2971444 | biostudies-literature

(2,2'-Bipyridine-κN,N')chlorido[4'-(2,5-dimethoxy-phen-yl)-2,2':6',2''-terpyridine-κN,N',N'']ruthenium(II) hexa-fluorido-phosphate acetonitrile monosolvate.

Project description:In the title compound, [RuCl(C(10)H(8)N(2))(C(23)H(19)N(3)O(2))]PF(6)·CH(3)CN, the ligand environment about the Ru(II) atom is distorted octa-hedral, with the substituted terpyridyl ligand coordinated in a meridional fashion, the bipyridyl ligand coordinated in a cis fashion and the Cl atom trans to one of the bipyridyl N atoms. The Ru-N distances are in the range 2.036 (2)-2.084 (2) Å with the exception of the central Ru-N bond from the terpyridyl ligand, which is shorter [1.9503 (19) Å], as expected. The pendant dimethoxy-phenyl substituent is not coplanar with the terpyridyl unit; the dihedral angle between the central pyridyl ring and the benzene ring is 46.72 (11)°. The anion is disordered equally over two positions around an F-P-F bond axis.

| S-EPMC2969997 | biostudies-literature

Crystal structure of {2,2'-[N,N'-bis-(pyridin-2-yl-meth-yl)cyclo-hexane-trans-1,2-diyldi(nitrilo)]di-acetato}-cobalt(III) hexa-fluorido-phosphate.

Project description:The title compound [Co(C22H26N4O4)]PF6, commonly known as [Co(bpcd)]PF6, where bpcd(2-) is derived from the historical ligand name N,N'-bis-(2-pyridyl-meth-yl)-trans-1,2-di-amino-cyclo-hexane-N,N'-di-acetate, crystallized by slow evaporation of a saturated aceto-nitrile solution in air. The cation of the hexa-fluorido-phosphate salt has the Co(III) atom in a distorted octa-hedral coordination geometry provided by an N4O2 donor atom set. The acetate groups, which are oriented trans with respect to each other, exhibit monodentate coordination whereas the pyridyl N atoms are coordinating in a cis configuration. The geometry of the cation is compared to the geometries of other di-amino di-acetate complexes with Co(III).

| S-EPMC4438832 | 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