Information card for entry 4075668

Structure parameters

• Formula: C37 H39 Br2 N Ni O2 P2
• Calculated formula: C37 H39 Br2 N Ni O2 P2
• SMILES: Br[Ni]1(Br)[P](CP(=[N]1Cc1ccc(OC)cc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1
• Title of publication: Synthesis of New Mixed Phosphineσim Iminophosphorane Bidentate Ligands and Their Coordination to Group 10 Metal Centers
• Authors of publication: Boubekeur, Leïla; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 6
• Pages of publication: 1065
• a: 19.997 ± 0.001 Å
• b: 9.79 ± 0.001 Å
• c: 17.67 ± 0.001 Å
• α: 90°
• β: 95.4 ± 0.001°
• γ: 90°
• Cell volume: 3443.9 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0542
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No