Information card for entry 1556314

Structure parameters

• Formula: C90 H84 Br0 N2 Ni O2
• Calculated formula: C90 H84 N2 Ni O2
• SMILES: c12c(cc(cc1C=[N]([Ni]1(O2)[N](=Cc2c(c(cc(c2)C(c2ccccc2)c2ccccc2)C(c2ccccc2)c2ccccc2)O1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
• Title of publication: Nickel bis{4,6-dibenzhydryl-2-[(arylimino)methyl]phenoxylate} complexes: Synthesis, structures, and catalytic behaviour towards ethylene and norbornene
• Authors of publication: Zhou, Zihong; Hao, Xiang; Redshaw, Carl; Chen, Langqiu; Sun, Wen-Hua
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 7
• Pages of publication: 1340
• a: 10.515 ± 0.002 Å
• b: 13.887 ± 0.003 Å
• c: 15.272 ± 0.003 Å
• α: 80.61 ± 0.03°
• β: 71.05 ± 0.03°
• γ: 70.1 ± 0.03°
• Cell volume: 1979.8 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.2086
• Weighted residual factors for all reflections included in the refinement: 0.2206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No