Information card for entry 4339366

Structure parameters

• Formula: C43 H37 Br2 Cl Ni O P2
• Calculated formula: C43 H37 Br2 Cl Ni O P2
• Title of publication: Synthesis, X-ray, and electronic structures of a new nickel dibromide complex. Activity in the regioselective catalyzed dimerization of ethylene into 1-butene.
• Authors of publication: Mora, Guilhem; van Zutphen, Steven; Klemps, Christian; Ricard, Louis; Jean, Yves; Le Floch, Pascal
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 24
• Pages of publication: 10365 - 10371
• a: 9.504 ± 0.001 Å
• b: 10.503 ± 0.001 Å
• c: 19.6 ± 0.001 Å
• α: 84.716 ± 0.001°
• β: 89.498 ± 0.001°
• γ: 74.856 ± 0.001°
• Cell volume: 1880.3 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No