Information card for entry 8104698

Structure parameters

• Formula: C30 H32 N2 Ni O2
• Calculated formula: C30 H32 N2 Ni O2
• Title of publication: Crystal structure of bis{(2-pyridinyl)-1-phenyl-1-isopropylmethanolato-κ2 N,O}nickel, C30H32N2NiO2
• Authors of publication: Singh, Nijal K.; Soobramoney, Lynette; Shozi, Mzamo L.; Friedrich, Holger B.; Zamisa, Sizwe J.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 4
• Pages of publication: 741 - 743
• a: 12.125 ± 0.0004 Å
• b: 13.6413 ± 0.0004 Å
• c: 8.1152 ± 0.0003 Å
• α: 90°
• β: 108.348 ± 0.002°
• γ: 90°
• Cell volume: 1274.02 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No