Information card for entry 7034367

Structure parameters

• Chemical name: (6-t-butyl-2-(t-butyl-phenylphosphanyl)phenolato-O,P)-hydroxyl-pyridine-nickel
• Formula: C25 H32 N Ni O2 P
• Calculated formula: C25 H32 N Ni O2 P
• SMILES: [Ni]1([P](c2ccccc2)(c2c(O1)c(ccc2)C(C)(C)C)C(C)(C)C)([n]1ccccc1)O
• 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: 31.683 ± 0.003 Å
• b: 10.7807 ± 0.001 Å
• c: 16.0669 ± 0.0015 Å
• α: 90°
• β: 115.753 ± 0.002°
• γ: 90°
• Cell volume: 4942.8 ± 0.8 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No