Information card for entry 4304424

Structure parameters

• Formula: C32 H44 N2 Ni O7 V
• Calculated formula: C32 H44 N2 Ni O7 V
• SMILES: [Ni]1234([O]5[V]6([O]1c1c(cc(cc1C)C)C[N]4(C)CC[N]2(C)Cc1c5c(cc(c1)C)C)(OC(=CC(=[O]6)C)C)=O)OC(=CC(=[O]3)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: 11.9355 ± 0.0015 Å
• b: 18.902 ± 0.002 Å
• c: 14.8328 ± 0.0018 Å
• α: 90°
• β: 96.672 ± 0.003°
• γ: 90°
• Cell volume: 3323.7 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.058
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No