Information card for entry 7016248

Structure parameters

• Formula: C9 H16 B9 Co P2
• Calculated formula: C9 H16 B9 Co P2
• SMILES: [Co]12345678(P9%10%11P%12%131[BH]1%14%11[BH]%11%15%10[BH]%1029[BH]294[BH]43%12[BH]3%13%14[BH]%121%15[BH]%11%102[BH]943%12)[c]12cccc[c]82[cH]7[cH]6[cH]51
• Title of publication: New chemistry of 1,2-closo-P(2)B(10)H(10) and 1,2-closo-As(2)B(10)H(10); in silico and gas electron diffraction structures, and new metalladiphospha- and metalladiarsaboranes.
• Authors of publication: McLellan, R.; Boag, N. M.; Dodds, K.; Ellis, D.; Macgregor, S. A.; McKay, D.; Masters, S. L.; Noble-Eddy, R; Platt, N. P.; Rankin, D. W. H.; Robertson, H. E.; Rosair, G. M.; Welch, A. J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 27
• Pages of publication: 7181 - 7192
• a: 7.1618 ± 0.0007 Å
• b: 9.2091 ± 0.0011 Å
• c: 11.859 ± 0.0014 Å
• α: 75.533 ± 0.008°
• β: 85.445 ± 0.007°
• γ: 78.114 ± 0.007°
• Cell volume: 740.78 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No