Information card for entry 7040994

Structure parameters

• Formula: C26 H35 B Co2 F4 S2
• Calculated formula: C26 H35 B Co2 F4 S2
• SMILES: [Co]1234567([H][Co]789%10%11%12([S]1c1c([S]2%12)cccc1)[c]1([c]8([c]9([c]%10([c]%111C)C)C)C)C)[c]1([c]4([c]6([c]3([c]51C)C)C)C)C.[B](F)(F)(F)[F-]
• Title of publication: Structural characterization and proton reduction electrocatalysis of thiolate-bridged bimetallic (CoCo and CoFe) complexes.
• Authors of publication: Tong, Peng; Xie, Wenjie; Yang, Dawei; Wang, Baomin; Ji, Xiaoxiao; Li, Jianzhe; Qu, Jingping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 46
• Pages of publication: 18559 - 18565
• a: 9.7866 ± 0.001 Å
• b: 12.0453 ± 0.0012 Å
• c: 23.21 ± 0.002 Å
• α: 90°
• β: 95.489 ± 0.002°
• γ: 90°
• Cell volume: 2723.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0423
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No