Information card for entry 7118985

Structure parameters

• Formula: C27 H56 B10 N3 P Si2
• Calculated formula: C27 H56 B10 N3 P Si2
• SMILES: P1([C]2345[C]678(C(=N\c9c(cccc9C(C)C)C(C)C)\C(C)(C)C)[BH]9%102[BH]2%116[BH]6%127[BH]738[BH]38%12[BH]%12%116[BH]6%102[BH]249[BH]573[BH]8%1262)C([Si](C)(C)C)C([Si](C)(C)C)=NN1
• Title of publication: The synthesis, structure and reactivity of an imine-stabilized carboranylphosphorus(I) compound
• Authors of publication: Tek Long Chan; Zuowei Xie
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 7280
• a: 18.683 ± 0.001 Å
• b: 13.262 ± 0.0007 Å
• c: 31.5134 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7808.2 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1083
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No