Information card for entry 7715209

Structure parameters

• Formula: C12 H32 B18 Co N
• Calculated formula: C12 H32 B18 Co N
• SMILES: [Co]12345678([CH]9%10%11[CH]%12%131[BH]1%146[BH]6%154[BH]439[BH]39%15[BH]%1516[BH]1%12%14[BH]6%10%13[BH]%1143[BH]9%1516)[C@@]134(CCC[n+]6ccccc6)[CH]692[BH]2%103[BH]3%11%12[BH]%13%14%15[BH]51([BH]17%13[BH]53%14[BH]861[BH]9%10%125)[BH]42%11%15
• 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: 14.2945 ± 0.0002 Å
• b: 12.399 ± 0.0001 Å
• c: 13.3076 ± 0.0001 Å
• α: 90°
• β: 106.1 ± 0.001°
• γ: 90°
• Cell volume: 2266.1 ± 0.04 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: 0.0331
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No