Information card for entry 7123031

Structure parameters

• Formula: C17 H37 B11 N4 O S
• Calculated formula: C17 H37 B11 N4 O 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: 8.4015 ± 0.0005 Å
• b: 11.3344 ± 0.0007 Å
• c: 15.3636 ± 0.0009 Å
• α: 72.113 ± 0.002°
• β: 78.085 ± 0.002°
• γ: 68.708 ± 0.002°
• Cell volume: 1289.81 ± 0.14 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: 0.0596
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No