Information card for entry 4350041

Structure parameters

• Formula: C25 H41 B Co2 F4 O3 S2
• Calculated formula: C25 H41 B Co2 F4 O3 S2
• SMILES: [Co]123456([S]([Co]789%10([S]1CC)([O]=C(O2)O)[c]1([c]9([c]8([c]%10([c]71C)C)C)C)C)CC)[c]1([c]4([c]6([c]3(C)[c]51C)C)C)C.[B](F)(F)(F)[F-]
• 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: 8.595 ± 0.0005 Å
• b: 11.961 ± 0.0007 Å
• c: 14.2279 ± 0.0008 Å
• α: 76.476 ± 0.001°
• β: 86.43 ± 0.001°
• γ: 88.239 ± 0.001°
• Cell volume: 1419.18 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No