Information card for entry 7228177

Structure parameters

• Common name: alpha-Zn(B-Bn)2
• Formula: C34 H32 N2 O2 Zn
• Calculated formula: C34 H32 N2 O2 Zn
• SMILES: c1(C2=CC(=[N](Cc3ccccc3)[Zn]3(O2)[N](=C(C=C(c2ccccc2)O3)C)Cc2ccccc2)C)ccccc1
• 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: 15.2491 ± 0.0019 Å
• b: 16.231 ± 0.002 Å
• c: 5.5977 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1385.5 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0234
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No