Information card for entry 4087467

Structure parameters

• Formula: C17 H26 B7 Co
• Calculated formula: C17 H26 B7 Co
• SMILES: [Co]12345678([C]9%10([CH]%11%122[BH]2%135[CH]51[BH]1%144[BH]439[BH]3%10%11[BH]9%12%13[BH]251[BH]%14439)c1ccccc1)[C]1(=[C]6([C]7(=[C]81C)C)C)C
• Title of publication: Syntheses, Structural Characterizations, and Reactivity Studies of Half-Sandwich Cobalt, Rhodium, and Iridium Metallatricarbadecaboranyl Complexes
• Authors of publication: Berkeley, Emily R.; Perez-Gavilan, Ariane; Carroll, Patrick J.; Sneddon, Larry G.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 1396
• a: 7.0025 ± 0.0008 Å
• b: 33.184 ± 0.004 Å
• c: 8.5261 ± 0.0009 Å
• α: 90°
• β: 107.089 ± 0.005°
• γ: 90°
• Cell volume: 1893.7 ± 0.4 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.332
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No