Information card for entry 4329859

Structure parameters

• Formula: C12 H33 B3 Cl0 S3
• Calculated formula: C12 H33 B3 S3
• Title of publication: Synthesis and the Thermal and Catalytic Dehydrogenation Reactions of Amine-Thioboranes
• Authors of publication: Alasdair P. M. Robertson; Mairi F. Haddow; Ian Manners
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 8254 - 8264
• a: 15.432 ± 0.0005 Å
• b: 18.0547 ± 0.0006 Å
• c: 27.4253 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7641.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0478
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No