Information card for entry 7051356

Structure parameters

• Formula: C8 H36 B22 Cl2 N2 S4
• Calculated formula: C8 H36 B22 Cl2 N2 S4
• Title of publication: Diborane(4) compounds incorporating thio- and seleno-carboranyl groups
• Authors of publication: Norman, Nicholas C.; Guy Orpen, A.; Quayle, Michael J.; Rice, Craig R.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2000
• Journal volume: 24
• Journal issue: 11
• Pages of publication: 837
• a: 13.683 ± 0.003 Å
• b: 22.229 ± 0.005 Å
• c: 10.367 ± 0.004 Å
• α: 90°
• β: 90.485 ± 0.014°
• γ: 90°
• Cell volume: 3153.1 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1481
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for all reflections: 0.2195
• Weighted residual factors for significantly intense reflections: 0.1895
• Goodness-of-fit parameter for all reflections: 0.875
• Goodness-of-fit parameter for significantly intense reflections: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No