Information card for entry 7050036

Structure parameters

• Formula: C28 H26 Br2 N Ni P
• Calculated formula: C28 H26 Br2 N Ni P
• SMILES: [Ni]1(Br)(Br)[P](CC(=[N]1c1c(cccc1C)C)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: New group 10 complexes of the bulky iminophosphine ligands [Ph2PCH2C(Ph)?N(2,6-R2C6H3)], where R = Me, iPr
• Authors of publication: Sofia I. Pascu; Karl S. Coleman; A. R. Cowley; Malcolm L. H. Green; Nicholas H. Rees
• Journal of publication: New Journal of Chemistry
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 2
• Pages of publication: 385
• a: 11.576 ± 0.001 Å
• b: 23.162 ± 0.003 Å
• c: 11.171 ± 0.001 Å
• α: 90°
• β: 117.85 ± 0.01°
• γ: 90°
• Cell volume: 2648.3 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.1762
• Residual factor for significantly intense reflections: 0.117
• Weighted residual factors for all reflections: 0.1087
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No