Information card for entry 4350035

Structure parameters

• Formula: C25 H40 Co2 O3 S2
• Calculated formula: C25 H40 Co2 O3 S2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Co]162345OC(=O)O[Co]2345([S]1CC)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)[S]6CC)C)C)C)C
• Title of publication: CO2 fixation and transformation on a thiolate-bridged dicobalt scaffold under oxidising conditions
• Authors of publication: Wu, Hui; Li, Jianzhe; Yang, Dawei; Tong, Peng; Zhao, Jinfeng; Wang, Baomin; Qu, Jingping
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 8
• Pages of publication: 2185
• a: 18.7475 ± 0.0006 Å
• b: 12.8019 ± 0.0004 Å
• c: 10.6678 ± 0.0003 Å
• α: 90°
• β: 93.166 ± 0.001°
• γ: 90°
• Cell volume: 2556.4 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No