Information card for entry 4066830

Structure parameters

• Formula: C28 H34 B10 Ni P2
• Calculated formula: C28 H34 B10 Ni P2
• SMILES: [Ni]12([P](c3ccccc3)(CC[P]1(c1ccccc1)c1ccccc1)c1ccccc1)[C]1345[C]6782[BH]291[BH]1%103[BH]3%114[BH]456[BH]56%11[BH]%11%103[BH]391[BH]172[BH]845[BH]6%1131
• 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: 11.8119 ± 0.0014 Å
• b: 15.6978 ± 0.0019 Å
• c: 17.794 ± 0.002 Å
• α: 89.942 ± 0.003°
• β: 84.805 ± 0.003°
• γ: 74.483 ± 0.002°
• Cell volume: 3165.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1699
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1691
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No