Information card for entry 7029304

Structure parameters

• Formula: C13 H24 B10 Cl2 Co2
• Calculated formula: C13 H24 B10 Cl2 Co2
• SMILES: [Co]123456789([CH]%10%11%12[BH]%13%141[CH]1%152[BH]2%163[BH]3%174[BH]45%10[BH]5%10%17[BH]%17%163[BH]3%152[BH]2%141[Co]1%14%15%16%18%11%13([BH]%1245[BH]%10%17321)[cH]1[cH]%14[cH]%15[cH]%16[cH]%181)[cH]1[cH]6[cH]7[cH]8[cH]91.ClCCl
• Title of publication: Asymmetric 1,8/13,2,x-M2C2B10 14-vertex metallacarboranes by direct electrophilic insertion reactions; the VCD and BHD methods in critical analysis of cage C atom positions.
• 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: 2014
• Journal volume: 43
• Journal issue: 13
• Pages of publication: 5095 - 5105
• a: 7.6842 ± 0.0008 Å
• b: 11.0372 ± 0.0011 Å
• c: 11.7319 ± 0.0012 Å
• α: 93.13 ± 0.005°
• β: 95.145 ± 0.005°
• γ: 98.582 ± 0.005°
• Cell volume: 977.56 ± 0.17 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: 0.1294
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No