Information card for entry 7034369

Structure parameters

• Chemical name: (3-t-butyl-N-(2,6-diisopropylphenyl)salicylaldiminato)-methyl-pyridine-nickel
• Formula: C29 H38 N2 Ni O
• Calculated formula: C29 H38 N2 Ni O
• SMILES: [Ni]1(Oc2c(C=[N]1c1c(cccc1C(C)C)C(C)C)cccc2C(C)(C)C)([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: 8.7278 ± 0.0006 Å
• b: 11.8643 ± 0.0009 Å
• c: 13.9859 ± 0.001 Å
• α: 94.972 ± 0.001°
• β: 99.18 ± 0.001°
• γ: 108.4 ± 0.001°
• Cell volume: 1342 ± 0.17 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: 0.0717
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No