Information card for entry 1518925

Structure parameters

• Formula: C28 H38 F2 Ni2 O2 P2
• Calculated formula: C28 H38 F2 Ni2 O2 P2
• SMILES: [Ni]12345([P](c6c(F)c7O[Ni]89%10%11([P](c7c(F)c6O1)(C(C)C)C(C)C)[cH]1[cH]8[cH]9[cH]%10[cH]%111)(C(C)C)C(C)C)[cH]1[cH]2[cH]3[cH]5[cH]41
• 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: 7.224 ± 0.001 Å
• b: 15.74 ± 0.005 Å
• c: 13.056 ± 0.005 Å
• α: 90°
• β: 109.04 ± 0.02°
• γ: 90°
• Cell volume: 1403.3 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0387
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No