Information card for entry 7035940

Structure parameters

• Formula: C7 H16 B9 Co
• Calculated formula: C7 H16 B9 Co
• SMILES: [CH]1234[CH]567[BH]891[Co]1%10%11%12%13%142([BH]2%153[BH]345[BH]45%15[BH]%15%102[BH]291[BH]168[BH]734[BH]5%1521)[cH]1[cH]%11[cH]%12[cH]%13[cH]%141
• Title of publication: Reduction-induced facile isomerisation of metallacarboranes: synthesis and crystallographic characterisation of 4-Cp-4,1,2-closo-CoC2B9H11.
• Authors of publication: Man, Wing Y.; Rosair, Georgina M.; Welch, Alan J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 35
• Pages of publication: 15417 - 15419
• a: 11.6409 ± 0.0012 Å
• b: 6.6488 ± 0.0006 Å
• c: 16.1299 ± 0.0015 Å
• α: 90°
• β: 93.823 ± 0.005°
• γ: 90°
• Cell volume: 1245.6 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0488
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No