Information card for entry 7034365

Structure parameters

• Chemical name: (6-pentafluorophenyl-2-(diphenylphosphanyl)phenolato-O,P)-methyl-pyridine-nickel
• Formula: C30 H21 F5 N Ni O P
• Calculated formula: C30 H21 F5 N Ni O P
• SMILES: [Ni]1([P](c2c(O1)c(c1c(F)c(F)c(c(F)c1F)F)ccc2)(c1ccccc1)c1ccccc1)([n]1ccccc1)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: 14.0396 ± 0.0013 Å
• b: 13.6829 ± 0.0013 Å
• c: 14.8362 ± 0.0014 Å
• α: 90°
• β: 111.474 ± 0.002°
• γ: 90°
• Cell volume: 2652.2 ± 0.4 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No