Information card for entry 4066835

Structure parameters

• Formula: C38 H58 B10 Ni P2
• Calculated formula: C38 H58 B10 Ni P2
• SMILES: [Ni]1([P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[C]2345[C]6781[BH]192[BH]2%103[BH]3%111[BH]169[BH]69%11[BH]%11%103[BH]352[BH]247[BH]816[BH]9%1132
• 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: 18.276 ± 0.003 Å
• b: 11.5824 ± 0.0016 Å
• c: 20.716 ± 0.003 Å
• α: 90°
• β: 108.339 ± 0.002°
• γ: 90°
• Cell volume: 4162.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1259
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No