Information card for entry 7704855

Structure parameters

• Formula: C26 H47 Cl4 Co2 I2 N S2
• Calculated formula: C26 H47 Cl4 Co2 I2 N S2
• SMILES: I[Co]12345([S]([Co]6789([S]1CC)([NH3])[c]1([c]6([c]8([c]9([c]71C)C)C)C)C)CC)[c]1([c]4([c]5([c]3([c]21C)C)C)C)C.[I-].ClCCl.ClCCl
• Title of publication: Facile C-N coupling of coordinated ammonia and labile carbonyl or acetonitrile promoted by a thiolate-bridged dicobalt reaction scaffold.
• Authors of publication: Li, Jianzhe; Yang, Dawei; Tong, Peng; Wang, Baomin; Qu, Jingping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 32
• Pages of publication: 11260 - 11267
• a: 12.1666 ± 0.0005 Å
• b: 15.2586 ± 0.0006 Å
• c: 19.7131 ± 0.0007 Å
• α: 90°
• β: 93.8173 ± 0.001°
• γ: 90°
• Cell volume: 3651.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No