Information card for entry 1518926

Structure parameters

• Formula: C28 H38 F8 Ni2 O2 P3
• Calculated formula: C28 H38 F8 Ni2 O2 P3
• SMILES: [Ni]12345([P](c6c(F)c7O[Ni]89%10%11([P](c7c(F)c6O1)(C(C)C)C(C)C)[cH]1[cH]%11[cH]%10[cH]9[cH]81)(C(C)C)C(C)C)[cH]1[cH]2[cH]5[cH]3[cH]41.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Bimetallic nickel complexes supported by 2,5-bis(phosphine)-1,4-hydroquinonate ligands. Structural, electrochemical and theoretical investigations
• Authors of publication: Louis R. Pignotti; Rudy L. Luck; Nihal Deligonul; John D. Protasiewicz; Kevin E. Johnson; Lillian P. Nguyen; Eugenijus Urnezius
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2015
• Journal volume: 424
• Pages of publication: 275 - 285
• a: 16.448 ± 0.004 Å
• b: 14.371 ± 0.004 Å
• c: 14.854 ± 0.005 Å
• α: 90°
• β: 111.96 ± 0.02°
• γ: 90°
• Cell volume: 3256.4 ± 1.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0878
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No