Information card for entry 7018489

Structure parameters

• Formula: C65 H80 Ni O4 P2
• Calculated formula: C65 H80 Ni O4 P2
• SMILES: [Ni]1(OC(=C[P]1(c1ccccc1OCCCCC)c1ccccc1OCCCCC)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1OCCCCC.CCCCCC
• Title of publication: Synthesis, structure, and ethylene polymerization behavior of nickel complexes based on benzoylmethylenetri(2-alkoxylphenyl)phosphorane.
• Authors of publication: Wan, Da-Wei; Gao, Yan-Shan; Li, Jun-Fang; Shen, Qi; Sun, Xiu-Li; Tang, Yong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 15
• Pages of publication: 4552 - 4557
• a: 14.5218 ± 0.0003 Å
• b: 23.7365 ± 0.0005 Å
• c: 18.5141 ± 0.0004 Å
• α: 90°
• β: 112.551 ± 0.001°
• γ: 90°
• Cell volume: 5893.8 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• 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: 0.0569
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No