Information card for entry 4327193

Structure parameters

• Formula: C32 H48 N2 Ni O4
• Calculated formula: C32 H48 N2 Ni O4
• SMILES: c12c(cc(cc1)C(C)(C)CC(C)(C)C)C(=[N]([Ni]1(O2)Oc2c(cc(cc2)C(C)(C)CC(C)(C)C)C(C)=[N]1O)O)C
• Title of publication: Structural, Magnetic, and Electronic Properties of Phenolic Oxime Complexes of Cu and Ni
• Authors of publication: Alexander M. Whyte; Benjamin Roach; David K. Henderson; Peter A. Tasker; Michio M. Matsushita; Kunio Awaga; Fraser J. White; Patricia Richardson; Neil Robertson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12867 - 12876
• a: 21.7524 ± 0.0005 Å
• b: 9.95251 ± 0.00018 Å
• c: 14.7187 ± 0.0003 Å
• α: 90°
• β: 107.396 ± 0.002°
• γ: 90°
• Cell volume: 3040.72 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Ambient diffracton pressure: 100 kPa
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for all reflections: 0.1056
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9812
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No