Information card for entry 7123032

Structure parameters

• Formula: C7 H22 B10 N2 S
• Calculated formula: C7 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: 8.7985 ± 0.0005 Å
• b: 12.6301 ± 0.0006 Å
• c: 14.4822 ± 0.0007 Å
• α: 90°
• β: 101.517 ± 0.002°
• γ: 90°
• Cell volume: 1576.94 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No