Information card for entry 4321857

Structure parameters

• Formula: C54 H68 N8 Ni O5
• Calculated formula: C54 H68 N8 Ni O5
• Title of publication: Bivalent, Trivalent, and Tetravalent Nickel Complexes with a Common Tridentate Deprotonated Pyridine Bis-Amide Ligand. Molecular Structures of Nickel(II) and Nickel(IV) and Redox Activity
• Authors of publication: Apurba Kumar Patra; Rabindranath Mukherjee
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 1388 - 1393
• a: 10.175 ± 0.002 Å
• b: 20.834 ± 0.003 Å
• c: 23.765 ± 0.004 Å
• α: 90 ± 0.01°
• β: 90 ± 0.02°
• γ: 90 ± 0.02°
• Cell volume: 5037.8 ± 1.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.212
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for all reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.044
• Goodness-of-fit parameter for all reflections: 1.407
• Goodness-of-fit parameter for significantly intense reflections: 1.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK-alpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No