Information card for entry 7034366

Structure parameters

• Chemical name: cis-bis(6-t-butyl-2-(t-butyl-phenylphosphanyl)phenolato-O,P)-nickel
• Formula: C40 H52 Ni O2 P2
• Calculated formula: C40 H52 Ni O2 P2
• SMILES: [Ni]12([P@](c3cccc(c3O1)C(C)(C)C)(C(C)(C)C)c1ccccc1)Oc1c([P@]2(c2ccccc2)C(C)(C)C)cccc1C(C)(C)C.[Ni]12([P@@](c3cccc(c3O1)C(C)(C)C)(C(C)(C)C)c1ccccc1)Oc1c([P@@]2(c2ccccc2)C(C)(C)C)cccc1C(C)(C)C
• Title of publication: Well-defined phosphino-phenolate neutral nickel(ii) catalysts for efficient (co)polymerization of norbornene and ethylene.
• Authors of publication: Zhang, Yan-Ping; Li, Wei-Wei; Li, Bai-Xiang; Mu, Hong-Liang; Li, Yue-Sheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 16
• Pages of publication: 7382 - 7394
• a: 12.9127 ± 0.0013 Å
• b: 13.303 ± 0.002 Å
• c: 13.3881 ± 0.0013 Å
• α: 98.806 ± 0.002°
• β: 114.932 ± 0.002°
• γ: 107.871 ± 0.002°
• Cell volume: 1875.5 ± 0.4 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 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: 0.1274
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No