Information card for entry 4318138

Structure parameters

• Formula: C10 H23 B9 Co N S
• Calculated formula: C10 H23 B9 Co N S
• SMILES: S([C]1234[C]567([Co]89%10%11%12%131([BH]1%145[BH]5%156[BH]627[BH]27%15[BH]%15%145[BH]591[BH]138[BH]462[BH]7%1551)N1[C]%10(=[CH]%11[CH]%12=[C]%131C)C)C)C
• Title of publication: Redox Potential Modulation in Mixed Sandwich Pyrrolyl/ Dicarbollide Complexes
• Authors of publication: Jordi Llop; Clara Viñas; Francesc Teixidor; Lluís Victori; Raikko Kivekäs; Reijo Sillanpää
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3347 - 3352
• a: 13.376 ± 0.003 Å
• b: 14.877 ± 0.006 Å
• c: 8.5667 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1704.7 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No