Information card for entry 4304422

Structure parameters

• Formula: C58 H70 N4 Ni2 O12 V2
• Calculated formula: C58 H70 N4 Ni2 O12 V2
• SMILES: c12c(cc(cc1C)C)C[N]1([Ni]3456[N](CC1)(Cc1c([O]4[V]4([O]23)([O]=C(O[Ni]237([O]8[V]([O]7c7c(cc(cc7C)C)C[N]2(C)CC[N]3(C)Cc2c8c(cc(c2)C)C)([O]=C(O5)c2ccccc2)(O6)=O)O4)c2ccccc2)=O)c(cc(c1)C)C)C)C
• Title of publication: Tetra- and Dinuclear Nickel(II)-Vanadium(IV/V) Heterometal Complexes of a Phenol-Based N2O2 Ligand: Synthesis, Structures, and Magnetic and Redox Properties
• Authors of publication: Debdas Mandal; Pabitra Baran Chatterjee; Rakesh Ganguly; Edward R. T. Tiekink; Rodolphe Clérac; Muktimoy Chaudhury
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 584 - 591
• a: 13.3548 ± 0.0006 Å
• b: 17.9752 ± 0.0007 Å
• c: 23.1855 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5565.8 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.24
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No