Information card for entry 7228171

Structure parameters

• Common name: Ni(B-Et)2
• Formula: C24 H28 N2 Ni O2
• Calculated formula: C24 H28 N2 Ni O2
• SMILES: [Ni]12(OC(=CC(=[N]1CC)C)c1ccccc1)[N](=C(C=C(O2)c1ccccc1)C)CC
• Title of publication: Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes
• Authors of publication: Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 9.509 ± 0.005 Å
• b: 9.826 ± 0.005 Å
• c: 12.281 ± 0.006 Å
• α: 87.621 ± 0.008°
• β: 70.731 ± 0.007°
• γ: 74.265 ± 0.008°
• Cell volume: 1041.2 ± 0.9 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 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: 0.043
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No