Information card for entry 4304425

Structure parameters

• Formula: C54 H55 N3 Ni O7 V
• Calculated formula: C54 H55 N3 Ni O7 V
• SMILES: [Ni]1234([O]5[V]6([O]1c1c(C[N]4(CC[N]2(Cc4c5c(cc(c4)C)C)C)C)cc(cc1C)C)([O]=C(C=C(O6)c1ccccc1)c1ccccc1)=O)OC(=CC(=[O]3)c1ccccc1)c1ccccc1.N#CC
• 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: 11.2938 ± 0.0004 Å
• b: 12.8014 ± 0.0005 Å
• c: 17.2832 ± 0.0007 Å
• α: 83.331 ± 0.001°
• β: 86.659 ± 0.001°
• γ: 77.124 ± 0.001°
• Cell volume: 2418.07 ± 0.16 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No