Information card for entry 7014004

Structure parameters

• Formula: C47 H28 B F15 N Ni O P
• Calculated formula: C47 H28 B F15 N Ni O P
• SMILES: [Ni]123([P](c4c(cccc4)C(=[N]1C(C)C)O[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(c1ccccc1)c1ccccc1)[CH]1=CC=CC=[C]21C3
• 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: 12.5838 ± 0.0004 Å
• b: 15.4674 ± 0.0005 Å
• c: 22.3179 ± 0.0008 Å
• α: 90°
• β: 89.4179 ± 0.0016°
• γ: 90°
• Cell volume: 4343.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.1426
• Residual factor for significantly intense reflections: 0.0957
• Weighted residual factors for significantly intense reflections: 0.2362
• Weighted residual factors for all reflections included in the refinement: 0.2672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No