Information card for entry 4066832

Structure parameters

• Formula: C8 H27 B10 Br Ni P2
• Calculated formula: C8 H27 B10 Br Ni P2
• SMILES: [B]1234([BH]567[BH]891[BH]1%102[BH]2%11%12[BH]%13[BH]%145([BH]568[BH]912[BH]%11%13%145)[C]137[Ni]([P](C)(C)C)([C]4%10%121)[P](C)(C)C)Br
• Title of publication: Synthesis and Structural Characterization of Group 10 Metal−Carboryne Complexes
• Authors of publication: Qiu, Zaozao; Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 20
• Pages of publication: 4541
• a: 15.253 ± 0.002 Å
• b: 11.484 ± 0.0015 Å
• c: 11.8579 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2077.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 40
• Hermann-Mauguin space group symbol: A m a 2
• Hall space group symbol: A 2 -2a
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No