Information card for entry 7123033

Structure parameters

• Formula: C15 H33 B11 Cl2 N4 S
• Calculated formula: C15 H33 B11 Cl2 N4 S
• Title of publication: Thiaborane clusters with the exoskeletal B-H group
• Authors of publication: Vrana, Jan; Holub, Josef; Samsonov, Maksim Andreevich; Ruzickova, Zdenka; Fanfrlik, Jindrich; Hnyk, Drahomír; Růžička, Aleš
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 8.8688 ± 0.0003 Å
• b: 10.1323 ± 0.0004 Å
• c: 15.8068 ± 0.0006 Å
• α: 72.875 ± 0.001°
• β: 77.939 ± 0.001°
• γ: 76.318 ± 0.001°
• Cell volume: 1304 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No