Information card for entry 7114662

Structure parameters

• Formula: C34 H82 Ba O9 P2 Si3
• Calculated formula: C34 H82 Ba O9 P2 Si3
• Title of publication: Stepwise synthesis of a stable diphosphasilirane and its unexpected dimerization
• Authors of publication: Kirsten Reuter; Carsten von Hanisch
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 7709
• a: 12.266 ± 0.003 Å
• b: 16.57 ± 0.003 Å
• c: 23.821 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4841.6 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No