Information card for entry 7020663

Structure parameters

• Formula: C20 H26 B10 Co2
• Calculated formula: C20 H26 B10 Co2
• SMILES: [Co]123456789([CH]%10%11%12[BH]%13%141[BH]1%152[BH]2%163[BH]3%174[BH]45%10[BH]5%10%17[BH]%17%163[BH]3%152[CH]2%141[BH]1%11%13[BH]%1245[Co]45%11%12%10%17321[cH]1[cH]4[cH]5[c]2%11cccc[c]%1212)[cH]1[cH]6[cH]7[c]28cccc[c]912
• Title of publication: The synthesis and characterisation of homo- and heterobimetallic 1,14,2,9- and 1,14,2,10-M2C2B10 14-vertex metallacarboranes.
• Authors of publication: McAnaw, Amelia; Lopez, Maria Elena; Ellis, David; Rosair, Georgina M.; Welch, Alan J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 3
• Pages of publication: 671 - 679
• a: 9.0411 ± 0.0005 Å
• b: 12.2634 ± 0.0007 Å
• c: 19.076 ± 0.0011 Å
• α: 90°
• β: 101.843 ± 0.003°
• γ: 90°
• Cell volume: 2070 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0502
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No