Information card for entry 4075212

Structure parameters

• Formula: C15 H30 B9 N
• Calculated formula: C15 H28.7 B9 N
• SMILES: [NH+](=C\[C]123[BH]45[BH]67[BH]89[BH]%10%11%12[BH]%131([BH]125[BH]247[BH]68%10[BH]%11%1312)[CH]39%12)/c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis, Structure, and Olefin Polymerization Behavior of Constrained-Geometry Group 4 Metallacarboranes Incorporating Imido-Dicarbollyl Ligands
• Authors of publication: Gao, Mingli; Tang, Yong; Xie, Meihua; Qian, Changtao; Xie, Zuowei
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 10
• Pages of publication: 2578
• a: 7.0813 ± 0.0012 Å
• b: 10.5025 ± 0.0017 Å
• c: 27.287 ± 0.005 Å
• α: 90°
• β: 96.513 ± 0.003°
• γ: 90°
• Cell volume: 2016.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1638
• Residual factor for significantly intense reflections: 0.0911
• Weighted residual factors for significantly intense reflections: 0.2188
• Weighted residual factors for all reflections included in the refinement: 0.2606
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No