Information card for entry 7715212

Structure parameters

• Formula: C12 H38 B18 Co N
• Calculated formula: C12 H38 B18 Co N
• SMILES: [Co]123456789[CH]%10%11%12[C]%13%14%152CC[B]2%16%178[BH]8%186[C]6%193([CH]3%201[BH]192[BH]29%16[BH]%16%201[BH]163[BH]3%18%19[BH]%1782[BH]9%1613)CC[B]1237[BH]64%10[BH]472[BH]283[BH]5%131[BH]1%158[BH]3%11%14[BH]421[BH]%12673.[N+](C)(C)(C)C
• Title of publication: Synthetic routes to carbon substituted cobalt bis(dicarbollide) alkyl halides and aromatic amines along with closely related irregular pathways.
• Authors of publication: Nekvinda, Jan; Bavol, Dmytro; Litecká, Miroslava; Tüzün, Ece Zeynep; Dušek, Michal; Grüner, Bohumír
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 5816 - 5826
• a: 9.89 ± 0.0002 Å
• b: 10.5598 ± 0.0003 Å
• c: 11.48866 ± 0.00018 Å
• α: 84.75 ± 0.0017°
• β: 87.7997 ± 0.0015°
• γ: 88.905 ± 0.002°
• Cell volume: 1193.77 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0541
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No