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Crystal structure of bis-[?-1,4-bis-(di-phenyl-phos-phan-yl)butane-?2P:P']bis-[(3,4,7,8-tetra-methyl-1,10-phenanthroline-?2N,N')copper(I)] bis-(hexa-fluorido-phosphate) di-chloro-methane disolvate.

ABSTRACT: The dication of the title compound, [Cu2(C28H28P2)2(C16H16N2)2](PF6)2·2CH2Cl2, has crystallographically imposed inversion symmetry. The copper(I) cation is coordinated in a distorted tetra-hedral geometry by two N atoms of a chelating 3,4,7,8-tetra-methyl-1,10-phenanthroline ligand and two P atoms of two bridging 1,4-bis-(di-phenyl-phosphan-yl)butane ligands, forming a 14-membered ring. An intra-molecular ?-? inter-action stabilizes the conformation of the dication. In the crystal, dications are linked by ?-? inter-actions involving adjacent phenanthroline rings, forming chains running parallel to [111]. Weak C-H?F hydrogen inter-actions are also observed.

SUBMITTER: Nishikawa M

PROVIDER: S-EPMC5095831 | biostudies-other | 2016 Nov

REPOSITORIES: biostudies-other

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Crystal structure of bis-[μ-1,4-bis-(di-phenyl-phos-phan-yl)butane-κ2P:P']bis-[(3,4,7,8-tetra-methyl-1,10-phenanthroline-κ2N,N')copper(I)] bis-(hexa-fluorido-phosphate) di-chloro-methane disolvate.

Nishikawa Michihiro M Mutsuura Kotaro K Tsubomura Taro T

Acta crystallographica. Section E, Crystallographic communications 20161011 Pt 11

The dication of the title compound, [Cu2(C28H28P2)2(C16H16N2)2](PF6)2·2CH2Cl2, has crystallographically imposed inversion symmetry. The copper(I) cation is coordinated in a distorted tetra-hedral geometry by two N atoms of a chelating 3,4,7,8-tetra-methyl-1,10-phenanthroline ligand and two P atoms of two bridging 1,4-bis-(di-phenyl-phosphan-yl)butane liga ...[more]

PMID: 27840706

Similar Datasets

[μ-Butane-1,4-diylbis(di-phenyl-phos-phane)-κ(2) P:P']bis-{[butane-1,4-diylbis(di-phenyl-phosphane)-κ(2) P,P']copper(I)} bis-(hexa-fluorido-phosphate) diethyl ether disolvate.

Project description:In the centrosymmetric dinuclear copper(I) complex cation of the title compound, [Cu2(C28H28P2)3](PF6)2·2C4H10O, the Cu(I) atom is bonded to three P atoms of two butane-1,4-diylbis(di-phenyl-phosphane) (dppb) ligands with a triangular coordination geometry. One of these P atoms belongs to a bridging dppb ligand [Cu-P = 2.2381 (5) Å] and two belong to a chelating dppb ligand [Cu-P = 2.2450 (6) and 2.2628 (5) Å]. The bridging dppb ligand lies on an inversion centre. In the crystal, the cation and the PF6 (-) anion are linked by C-H⋯F inter-actions, forming a tape along [110]. The cation and the diethyl ether solvent mol-ecule are also linked by a C-H⋯O inter-action.

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Synthesis and crystal structure of di-chlorido-(1,10-phenanthroline-?2N,N')gold(III) hexa-fluorido-phosphate.

Project description:A gold(III) salt of composition [AuCl2(C12H8N2)]PF6 was prepared and characterized by elemental and mass spectrometric analysis (ESI(+)-QTOF-MS), 1H nuclear magnetic resonance measurements and by single-crystal X-ray diffraction. The square-planar coordination sphere of AuIII comprises the bidentate 1,10-phenanthroline ligand and two chloride ions, with the AuIII ion only slightly shifted from the least-squares plane of the ligating atoms (r.m.s. = 0.018?Å). In contrast to two other previously reported AuIII-phenantroline structures that are stabilized by inter-actions involving the chlorido ligands, the packing of the title compound does not present these features. Instead, the hexa-fluorido-phosphate counter-ion gives rise to anion?? inter-actions that are a crucial factor for the crystal packing.

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Diaqua-bis(1,10-phenanthroline)magnesium dichromate(VI) 1,10-phenanthroline disolvate.

Project description:In the title compound, [Mg(C(12)H(8)N(2))(2)(H(2)O)(2)][Cr(2)O(7)]·2C(12)H(8)N(2), the cation and anion are situated on a twofold rotation axis. The Mg(II) ion is coordinated by four N atoms from two 1,10-phenanthroline ligands and two O atoms from coordinated water mol-ecules in a distorted octa-hedral geometry. Inter-molecular O-H?N and O-H?O hydrogen bonds and ?-? inter-actions between the aromatic rings [shortest centroid-centroid separation = 3.527?(2)?Å] link the cations, anions and 1,10-phenanthroline solvent mol-ecules into a hydrogen-bonded cluster.

| S-EPMC2969879 | biostudies-other

2,9-Bis(5-sulfanylidene-4,5-di-hydro-1,3,4-oxa-diazol-2-yl)-1,10-phenanthroline dimethyl sulfoxide disolvate.

Project description:In the title compound, C16H8N6O2S2·2C2H6OS, the phenanthroline mol-ecule resides on a twofold axis, and the asymmetric unit also contains a slightly disordered [occupancy ratio for S atom of 0.95 (3):0.047 (3)] mol-ecule of dimethyl sulfoxide. The O atoms of the solvent mol-ecule accept hydrogen bonds from the N-H groups of the five-membered 2,3-di-hydro-1,3,4-oxa-diazole-2-thione ring. This ring is nearly coplanar with the phenanthroline ring, with a dihedral angle between their least-squares planes of 8.86 (6)°. In the crystal, the mol-ecules are linked by C-H⋯O inter-actions.

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Di-?-carbonyl-bis-[bis-(triphenyl-phos-phane)rhodium(0)](Rh-Rh) acetone disolvate.

Project description:The dirhodium complex, [Rh(2)(C(18)H(15)P)(4)(CO)(2)]·2(CH(3))(2)CO, has crystallographic twofold symmetry and the Rh-Rh distance is 2.6266?(8)?Å. The four atoms proximate to each Rh atom [Rh-P = 2.3222?(7) and 2.3283?(8)?Å, and Rh-C = 1.961?(3) and 2.045?(3)?Å] form a distorted tetra-hedron with large deviations from the putative tetra-hedral angles [r.m.s. deviation = 23?(1)°]. The six angles more closely approximate those of a trigonal bipyramid [r.m.s. deviation = 14?(1)°] with one missing equatorial ligand. The two bridging carbonyl ligands are much more linearly coordinated to one Rh [Rh-C O = 151.0?(2)°] than to the other [127.0?(2)°], and the two Rh(2)CO planes form a dihedral angle of 45.43?(5)°. The two acetone solvent mol-ecules are disordered, and their estimated scattering contribution was subtracted from the observed diffraction data using the SQUEEZE routine in PLATON [Spek (2009 ?). Acta Cryst.D65, 148-155].

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2,9-Bis(1,3-benzothia-zol-2-yl)-1,10-phenanthroline dichloro-methane disolvate.

Project description:In the title compound, C(26)H(14)N(4)S(2)·2CH(2)Cl(2), the two pendant benzothia-zole groups are slightly twisted with respect to the phenanthroline core [dihedral angles = 1.03?(7) and 9.05?(5)°]. Weak inter-molecular C-H?N and C-H?Cl inter-actions occur in the crystal structure.

| S-EPMC2960670 | biostudies-literature

(?-Butane-1,2,3,4-tetra-carboxyl-ato)bis-[triaqua-(1,10-phenanthroline)nickel(II)] hexa-hydrate.

Project description:The asymmetric unit of the title compound, [Ni(2)(C(8)H(6)O(8))(C(12)H(8)N(2))(2)(H(2)O)(6)]·6H(2)O, contains a half of the centrosymmetric dinuclear complex mol-ecule and three uncoordinated water mol-ecules. In the dinuclear mol-ecule, two Ni(II) cations are bridged by the butane-1,2,3,4-tetra-carboxyl-ate (BTC(4-)) anion. Each Ni(II) atom is coordinated by two N atoms from the 1,10-phenanthroline ligand, one O atom from the BTC(4-) anion and three aqua ligands in a distorted octa-hedral geometry. Inter-molecuar O-H?O hydrogen bonds and ?-? stacking inter-ations [centroid-centroid distances = 3.646?(2), 3.781?(2) and 3.642?(2)?Å] consolidate the crystal packing.

| S-EPMC3011463 | biostudies-literature

Bis(2-dimethylamino-1,10-phenanthroline-?N,N')bis-(thio-cyanato-?N)nickel(II) methanol disolvate.

Project description:In the title complex, [Ni(NCS)(2)(C(14)H(13)N(3))(2)]·2CH(3)OH, the Ni(II) atom lies on a crystallographic twofold rotation axis and is in a slightly distorted octa-hedral NiN(6) coordination environment. The crystal structure is stabilized by a combination of weak ?-? stacking inter-actions between symmetry-related 1,10-phenanthroline ligands [centroi-centroid distance between benzene rings = 3.5936?(18)?Å] and weak O-H?S, C-H?O and C-H?S hydrogen bonds between methanol and complex mol-ecules.

| S-EPMC2961583 | biostudies-literature

(Benzoato-?O)bis-(1,10-phenanthroline-?N,N')copper(II) chloride benzoic acid disolvate.

Project description:In the title complex, [Cu(C(7)H(5)O(2))(C(12)H(8)N(2))(2)]Cl·2C(6)H(5)CO-OH, the Cu(II) ion is coordinated by one carboxyl-ate O atom from a benzoate anion and four N atoms from two phenantroline ligands in a distorted five-coordinate trigonal-bipyramidal CuON(4) chromophore. The Cu(2+) and the Cl(-) ion are imposed by a twofold rotation axiss which also bisects the equally disordered benzoate anion. In the crystal, the mol-ecules are assembled into chains along [010] by C-H?Cl, O-H?Cl and C-H?O hydrogen-bonding inter-actions. The resulting chains are further connected into two-dimensional supra-molecular layers parallel to [100] by inter-chain ??? stacking inter-actions [centroid-centroid distance = 3.823?(5)?Å] between the phenanthroline ligands and the benzoic acid mol-ecules, and by C-H?O hydrogen-bonding inter-actions. Strong ??? stacking inter-actions between adjacent phenantroline ligands [3.548?(4)?Å] assemble the layers into a three-dimensional supra-molecular architecture.

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Bis(1,10-phenanthroline-?N,N')(sulfato-?O,O')cobalt(II) butane-2,3-diol monosolvate.

Project description:In the title compound, [Co(SO(4))(C(12)H(8)N(2))(2)]·C(4)H(10)O(2), the Co(2+) ion has a distorted octa-hedral coordination environment composed of four N atoms from two chelating 1,10-phenanthroline ligands and two O atoms from an O,O'-bidentate sulfate anion. The dihedral angle between the two chelating N(2)C(2) groups is 83.48?(1)°. The Co(2+) ion, the S atom and the mid-point of the central C-C bond of the butane-2,3-diol solvent mol-ecule are situated on twofold rotation axes. The mol-ecules of the complex and the solvent mol-ecules are held together by pairs of symmetry-related O-H?O hydrogen bonds with the uncoordinated O atoms of the sulfate ions as acceptors. The solvent mol-ecule is disordered over two sets of sites with site occupancies of 0.40 and 0.60.

| S-EPMC3100011 | biostudies-literature