Information card for entry 4318139

Structure parameters

• Formula: C20 H27 B9 Co N
• Calculated formula: C20 H27 B9 Co N
• SMILES: [C]1234([C]567([Co]89%10%11%12%131([BH]1%142[BH]2%153[BH]345[BH]45%15[BH]%15%142[BH]291[BH]168[BH]734[BH]5%1521)[n]1[c]%10([cH]%11[cH]%12[c]%131C)C)c1ccccc1)c1ccccc1
• 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: 12.7326 ± 0.0011 Å
• b: 11.891 ± 0.002 Å
• c: 15.0701 ± 0.0009 Å
• α: 90°
• β: 103.17 ± 0.005°
• γ: 90°
• Cell volume: 2221.7 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No