Information card for entry 7116093

Structure parameters

• Formula: C24 H44 B Br N2 Ni P2
• Calculated formula: C24 H44 B Br N2 Ni P2
• SMILES: [Ni]12(Br)[P](C(C)(C)C)(C(C)(C)C)CN3B2N(c2c3cccc2)C[P]1(C(C)(C)C)C(C)(C)C
• Title of publication: Boryl-assisted hydrogenolysis of a nickel-methyl bond
• Authors of publication: Natalia Curado; Celia Maya; Joaquin Lopez-Serrano; Amor Rodriguez
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 15718
• a: 11.7353 ± 0.0003 Å
• b: 14.3656 ± 0.0004 Å
• c: 32.1047 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5412.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No