Information card for entry 7018488

Structure parameters

• Formula: C53 H54 Ni O4 P2
• Calculated formula: C53 H54 Ni O4 P2
• SMILES: [Ni]1([P](C=C(O1)c1ccccc1)(c1ccccc1OC(C)C)c1c(OC(C)C)cccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1OC(C)C
• 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: 17.5838 ± 0.0015 Å
• b: 13.0885 ± 0.0011 Å
• c: 20.7174 ± 0.0018 Å
• α: 90°
• β: 97.551 ± 0.002°
• γ: 90°
• Cell volume: 4726.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1187
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No