Information card for entry 7715210

Structure parameters

• Formula: C10 H36 B18 Co N
• Calculated formula: C10 H36 B18 Co N
• SMILES: [Co]12345678([C]9%10%11(CCC[N+](C)(C)C)[BH]%12%132[BH]2%148[BH]8%157[CH]739[BH]39%10[BH]%10%11%12[BH]%11%129[BH]873[BH]2%15%11[BH]%13%14%10%12)[CH]237[CH]891[BH]1%104[BH]4%115[BH]562[BH]263[BH]378[BH]79%10[BH]814[BH]%1152[BH]6378
• 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: 13.7657 ± 0.0003 Å
• b: 11.6644 ± 0.0002 Å
• c: 14.2364 ± 0.0003 Å
• α: 90°
• β: 94.582 ± 0.002°
• γ: 90°
• Cell volume: 2278.61 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0527
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No