Information card for entry 1565498

Structure parameters

• Formula: C21 H27 N Ni0.5 O2
• Calculated formula: C21 H27 N Ni0.5 O2
• Title of publication: Synthesis, characterization and study on the dissimilar reactivity of a Ni(II)-bis(iminosemiquinone) complex core to ligand-appended hemilabile –CH2OH and –CH2NH2 units
• Authors of publication: Sarkar, Prasenjit; Ghorai, Samir; Chandra Paul, Ganesh; Khannam, Mahmuda; Barman, Surajit; Mukherjee, Chandan
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 502
• Pages of publication: 119340
• a: 5.7899 ± 0.0008 Å
• b: 12.5127 ± 0.0009 Å
• c: 13.9208 ± 0.0014 Å
• α: 71.193 ± 0.008°
• β: 80.081 ± 0.01°
• γ: 81.402 ± 0.008°
• Cell volume: 935.62 ± 0.18 ų
• Cell temperature: 102 ± 3 K
• Ambient diffraction temperature: 102 ± 3 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.115
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.1987
• Weighted residual factors for all reflections included in the refinement: 0.2278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No