Information card for entry 4075210

Structure parameters

• Formula: C15 H29 B10 N
• Calculated formula: C15 H29 B10 N
• SMILES: N(=C\[C]1234[BH]567[BH]891[BH]1%102[BH]2%113[BH]3%12%10[BH]%1091[BH]168[BH]685[BH]23([BH]%12%1016)[CH]47%118)/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: 10.2351 ± 0.0014 Å
• b: 10.9324 ± 0.0015 Å
• c: 10.9999 ± 0.0015 Å
• α: 114.942 ± 0.002°
• β: 100.506 ± 0.002°
• γ: 103.881 ± 0.002°
• Cell volume: 1025.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1713
• Weighted residual factors for all reflections included in the refinement: 0.1905
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No