Information card for entry 7228173

Structure parameters

• Common name: Ni(B-Bn)2
• Formula: C34 H32 N2 Ni O2
• Calculated formula: C34 H32 N2 Ni O2
• SMILES: c1ccccc1C1=CC(=[N](Cc2ccccc2)[Ni]2(O1)[N](=C(C=C(c1ccccc1)O2)C)Cc1ccccc1)C
• 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: 7.5225 ± 0.0003 Å
• b: 25.9549 ± 0.0012 Å
• c: 6.9974 ± 0.0003 Å
• α: 90°
• β: 98.533 ± 0.001°
• γ: 90°
• Cell volume: 1351.09 ± 0.1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0362
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No