Information card for entry 7014000

Structure parameters

• Formula: C41 H41 N Ni O P2
• Calculated formula: C41 H41 N Ni O P2
• SMILES: [Ni]1([P](c2c(C(=O)N1c1ccccc1)cccc2)(c1ccccc1)c1ccccc1)([P](C)(C)C)Cc1ccccc1.c1ccccc1
• Title of publication: Synthesis, characterization and ethylene reactivity of 2-diphenylphosphanylbenzamido nickel complexes.
• Authors of publication: Kwon, Heon Yong; Lee, Su Yeon; Lee, Bun Yeoul; Shin, Dong Mok; Chung, Young Keun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 6
• Pages of publication: 921 - 928
• a: 12.057 ± 0.001 Å
• b: 12.123 ± 0.001 Å
• c: 13.916 ± 0.001 Å
• α: 102.27 ± 0.005°
• β: 109.119 ± 0.005°
• γ: 95.366 ± 0.004°
• Cell volume: 1848.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.2605
• Residual factor for significantly intense reflections: 0.0914
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.2142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No