Information card for entry 7706517

Structure parameters

• Formula: C14 H42 B18 Cl2 Co K O5
• Calculated formula: C14 H42 B18 Cl2 Co K O5
• Title of publication: The unexpected reactivity of 9-iodo-nido-carborane: from nucleophilic substitution reactions to the synthesis of tricobalt tris(dicarbollide) Na[4,4',4''-(MeOCH₂CH₂O)₃-3,3',3''-Co₃(μ³-O)(μ³-S)(1,2-C₂B₉H₁₀)₃].
• Authors of publication: Stogniy, Marina Yu; Anufriev, Sergey A.; Shmal'ko, Akim V.; Antropov, Sergey M.; Anisimov, Aleksei A.; Suponitsky, Kyrill Yu; Filippov, Oleg A.; Sivaev, Igor B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 7
• Pages of publication: 2671 - 2688
• a: 10.3335 ± 0.0002 Å
• b: 35.5869 ± 0.0007 Å
• c: 9.6373 ± 0.0002 Å
• α: 90°
• β: 115.342 ± 0.001°
• γ: 90°
• Cell volume: 3202.95 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.0651
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No