Information card for entry 7118980

Structure parameters

• Formula: C19 H36 B10 Cl2 N P
• Calculated formula: C19 H36 B10 Cl2 N P
• SMILES: P(Cl)(Cl)[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: 9.8778 ± 0.0004 Å
• b: 19.2098 ± 0.0008 Å
• c: 16.2304 ± 0.0006 Å
• α: 90°
• β: 101.765 ± 0.002°
• γ: 90°
• Cell volume: 3015 ± 0.2 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: 0.047
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No