Information card for entry 4321858

Structure parameters

• Formula: C38 H27.5 N6 Ni O4.75
• Calculated formula: C38 H28 N6 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: 14.874 ± 0.007 Å
• b: 13.3 ± 0.004 Å
• c: 16.604 ± 0.005 Å
• α: 90 ± 0.03°
• β: 99.68 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 3238 ± 2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.164
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for all reflections: 0.159
• Weighted residual factors for significantly intense reflections: 0.064
• Goodness-of-fit parameter for all reflections: 1.984
• Goodness-of-fit parameter for significantly intense reflections: 1.305
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK-alpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No