Information card for entry 7029287

Structure parameters

• Formula: C6 H19 B10 P S3
• Calculated formula: C6 H19 B10 P S3
• SMILES: S1P(S[C]2345[C]6781[BH]192[BH]2%106[BH]6%117[BH]738[BH]38%11[BH]%11%106[BH]692[BH]241[BH]573[BH]8%1162)(=S)C(C)(C)C
• Title of publication: 1,3,2-Dithiaphospholanes with an annelated 1,2-dicarba-closo-dodecaborane(12) unit: formation and reactivity.
• Authors of publication: Wrackmeyer, Bernd; Klimkina, Elena V.; Milius, Wolfgang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 13
• Pages of publication: 5021 - 5043
• a: 13.237 ± 0.003 Å
• b: 13.95 ± 0.003 Å
• c: 18.147 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3351 ± 1.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.1125
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No