Information card for entry 7051357

Structure parameters

• Formula: C8 H29 B10 N3 S2
• Calculated formula: C8 H29 B10 N3 S2
• SMILES: [S-][C]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%158[BH]8%16%11[BH]%111([BH]3%158[BH]26%10%14)[BH]1%13%16[BH]59%12[C]47%111[S-].N#CC.C[NH2+]C.C[NH2+]C
• 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: 11.209 ± 0.004 Å
• b: 8.974 ± 0.004 Å
• c: 19.784 ± 0.009 Å
• α: 90°
• β: 94.14 ± 0.04°
• γ: 90°
• Cell volume: 1984.9 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.2283
• Residual factor for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections: 0.1908
• Weighted residual factors for significantly intense reflections: 0.1406
• Goodness-of-fit parameter for all reflections: 1.009
• Goodness-of-fit parameter for significantly intense reflections: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No