Information card for entry 7014002

Structure parameters

• Formula: C50 H26 B F15 N Ni O P
• Calculated formula: C50 H26 B F15 N Ni O P
• SMILES: [Ni]123([P](c4c(C(O[B](c5c(F)c(F)c(F)c(F)c5F)(c5c(F)c(F)c(F)c(F)c5F)c5c(F)c(F)c(F)c(F)c5F)=[N]1c1ccccc1)cccc4)(c1ccccc1)c1ccccc1)[C]1(=CC=CC=[CH]21)C3
• 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: 37.758 ± 0.001 Å
• b: 12.04 ± 0.001 Å
• c: 20.981 ± 0.001 Å
• α: 90°
• β: 109.45 ± 0.06°
• γ: 90°
• Cell volume: 8994 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No