Information card for entry 7114663

Structure parameters

• Formula: C36 H84 O2 P4 Si6
• Calculated formula: C36 H84 O2 P4 Si6
• SMILES: C(C)(C)[Si]1(P2[Si](P(P3P([Si](O[Si]3(C(C)C)C(C)C)(C(C)C)C(C)C)[Si]2(C(C)C)C(C)C)[Si](C(C)C)(O1)C(C)C)(C(C)C)C(C)C)C(C)C
• 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: 13.6209 ± 0.001 Å
• b: 25.4353 ± 0.0012 Å
• c: 14.457 ± 0.001 Å
• α: 90°
• β: 101.199 ± 0.005°
• γ: 90°
• Cell volume: 4913.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 0.604
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No