Information card for entry 4084090

Structure parameters

• Formula: C8 H19 B9 Co N S2
• Calculated formula: C8 H19 B9 Co N S2
• SMILES: [BH]1234[BH]567[BH]891[BH]1%103[BH]3%11%12[BH]%13%14%15[BH]%166([Co]6%17%18%19%2025([cH]2[cH]6[cH]%18[cH]%17[n]%192)[C]413(SC)[C]%11%14%16%20SC)[BH]78%13[BH]9%10%12%15
• Title of publication: C−C Plasticity in Boron Chemistry: Modulation of the Cc···CcDistance in Mixed Pyrrolyl/Dicarbollide Complexes†
• Authors of publication: Llop, Jordi; Viñas, Clara; Teixidor, Francesc; Victori, Lluís; Kivekäs, Raikko; Sillanpää, Reijo
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 19
• Pages of publication: 4024
• a: 9.3805 ± 0.0015 Å
• b: 12.897 ± 0.002 Å
• c: 13.438 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1625.7 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No