Information card for entry 7118987

Structure parameters

• Formula: C25 H55 B10 N2 P Si2
• Calculated formula: C25 H55 B10 N2 P Si2
• SMILES: P(N([Si](C)(C)C)[Si](C)(C)C)[C]1234[C]567(/C(=N/c8c(cccc8C(C)C)C(C)C)C(C)(C)C)[BH]891[BH]1%105[BH]5%116[BH]627[BH]27%11[BH]%11%105[BH]591[BH]138[BH]462[BH]7%1151
• 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: 17.4404 ± 0.0015 Å
• b: 12.4044 ± 0.0009 Å
• c: 18.5294 ± 0.0015 Å
• α: 90°
• β: 115.893 ± 0.003°
• γ: 90°
• Cell volume: 3606.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0885
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.2035
• Weighted residual factors for all reflections included in the refinement: 0.2177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No