Information card for entry 7123030

Structure parameters

• Formula: C10 H22 B10 N2 S
• Calculated formula: C10 H22 B10 N2 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: 8.2222 ± 0.0007 Å
• b: 16.0093 ± 0.0012 Å
• c: 6.8094 ± 0.0005 Å
• α: 90°
• β: 98.739 ± 0.005°
• γ: 90°
• Cell volume: 885.93 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No