Information card for entry 7032962

Structure parameters

• Formula: C20 H42 B8 Co2
• Calculated formula: C20 H42 B8 Co2
• SMILES: [Co]12345678([c]9([c]2([c]4([c]1([c]39C)C)C)C)C)[BH]123[Co]49%10%11%12%13%14([c]%15([c]%10([c]9(C)[c]%11([c]4%15C)C)C)C)[BH]49%10[BH]51%12[BH]174[BH]46([BH]91([BH]1%14%10[BH]2%13([H]3)[H]1)[H]4)[H]8
• Title of publication: Chemistry of group 9 dimetallaborane analogues of octaborane(12).
• Authors of publication: Barik, Subrat Kumar; Roy, Dipak Kumar; Ghosh, Sundargopal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 669 - 676
• a: 8.3422 ± 0.0004 Å
• b: 11.7052 ± 0.0006 Å
• c: 13.3262 ± 0.001 Å
• α: 85.485 ± 0.005°
• β: 86.826 ± 0.005°
• γ: 76.377 ± 0.004°
• Cell volume: 1259.82 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1161
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No