Information card for entry 4066831

Structure parameters

• Formula: C38 H38 B10 I2 Ni P2
• Calculated formula: C38 H38 B10 I2 Ni P2
• SMILES: [Ni]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[C]2345[BH]678[BH]9%102[BH]2%113[BH]3%124[BH]4%13%11[B]%11%102(I)[BH]279[BH]796[BH]34([B]%13%1127I)[C]158%129
• 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: 12.5971 ± 0.0016 Å
• b: 12.615 ± 0.0016 Å
• c: 14.9923 ± 0.0019 Å
• α: 71.936 ± 0.003°
• β: 78.406 ± 0.003°
• γ: 71.484 ± 0.002°
• Cell volume: 2133.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No