Information card for entry 7717350

Structure parameters

• Formula: C10 H32 B18 Co N3
• Calculated formula: C10 H32 B18 Co N3
• Title of publication: Modification of cobalt bis(dicarbollide) ions with nitrile groups on carbon atoms: a unique low-temperature skeletal rearrangement due to the specific electron-donor character of CN substitution.
• Authors of publication: Tüzün, Ece Zeynep; Hnyk, Drahomír; Bavol, Dmytro; Litecká, Miroslava; Fanfrlík, Jindřich; Grűner, Bohumír
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 46
• Pages of publication: 18462 - 18466
• a: 20.7855 ± 0.0003 Å
• b: 19.9491 ± 0.0003 Å
• c: 11.25789 ± 0.00016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4668.11 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No