Information card for entry 4315167

Structure parameters

• Formula: C22 H26 B4 S2 V2
• Calculated formula: C22 H26 B4 S2 V2
• SMILES: [B]1234(Sc5ccccc5)[H][V]56789%10%11%124([BH]2[V]24%13%14%15%163%11([H]1)([BH]5[B]62(Sc1ccccc1)([H]%16)[H]%12)[cH]1[cH]4[cH]%13[cH]%14[cH]%151)[cH]1[cH]7[cH]8[cH]9[cH]%101
• Title of publication: Chemistry of Vanadaboranes: Synthesis, Structures, and Characterization of Organovanadium Sulfide Clusters with Disulfido Linkage
• Authors of publication: Shubhankar Kumar Bose; K. Geetharani; V. Ramkumar; Babu Varghese; Sundargopal Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2881 - 2888
• a: 9.814 ± 0.0018 Å
• b: 11.7167 ± 0.0015 Å
• c: 19.958 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2294.9 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1178
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No