Information card for entry 7228169

Structure parameters

• Common name: Ni(B-Et)2
• Formula: C24 H28 N2 Ni O2
• Calculated formula: C24 H28 N2 Ni O2
• SMILES: [Ni]12([N](=C(C=C(O1)c1ccccc1)C)CC)[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: 7.516 ± 0.0005 Å
• b: 12.6431 ± 0.0009 Å
• c: 13.1097 ± 0.0014 Å
• α: 118.47 ± 0.002°
• β: 101.607 ± 0.002°
• γ: 95.514 ± 0.002°
• Cell volume: 1045.7 ± 0.15 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: 0.0311
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No