Information card for entry 7123036

Structure parameters

• Formula: C14 H30 B11 I N4 S
• Calculated formula: C14 H30 B11 I 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: 10.9419 ± 0.0006 Å
• b: 13.0988 ± 0.0007 Å
• c: 17.6099 ± 0.0011 Å
• α: 90°
• β: 99.408 ± 0.002°
• γ: 90°
• Cell volume: 2490 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No