Information card for entry 7040992

Structure parameters

• Formula: C26 H34 Co2 S2
• Calculated formula: C26 H34 Co2 S2
• SMILES: [Co]123456([Co]789%10%11([S]1c1c([S]27)cccc1)[c]1([c]9([c]%10([c]8([c]%111C)C)C)C)C)[c]1([c]4([c]6([c]5([c]31C)C)C)C)C
• 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: 9.4287 ± 0.0004 Å
• b: 9.5832 ± 0.0004 Å
• c: 15.4379 ± 0.0009 Å
• α: 103.95 ± 0.002°
• β: 100.074 ± 0.002°
• γ: 108.74 ± 0.001°
• Cell volume: 1232.73 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No