Information card for entry 2240844

Structure parameters

• Chemical name: 2-Cyclopentadienyl-1,7-dicarba-2-cobalta-<i>closo</i>-dodecaborane(11)
• Formula: C7 H16 B9 Co
• Calculated formula: C7 H16 B9 Co
• SMILES: [CH]1234[Co]56789%10%11([BH]%12%131[BH]1%142[BH]2%153[BH]345[BH]45%15[BH]%15%142[BH]2%131[CH]16%12[BH]734[BH]5%1521)[cH]1[cH]8[cH]9[cH]%10[cH]%111
• Title of publication: Crystal structure of a second polymorph of 2-cyclopentadienyl-1,7-dicarba-2-cobalta-<i>closo</i>-dodecaborane(11)
• Authors of publication: Man, Wing Y.; Rosair, Georgina M.; Welch, Alan J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• Pages of publication: m141 - m142
• a: 12.4903 ± 0.0011 Å
• b: 8.7207 ± 0.0007 Å
• c: 12.7392 ± 0.0012 Å
• α: 90°
• β: 116.123 ± 0.004°
• γ: 90°
• Cell volume: 1245.86 ± 0.19 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0578
• 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: Yes