Information card for entry 1554622

Structure parameters

• Formula: C30 H43 F6 Fe P Ru S4
• Calculated formula: C30 H43 F6 Fe P Ru S4
• SMILES: [Ru]123456([Fe]789%10%11%12([S]1CC[S]8CC[S]27)[c]1([c]9([c]%11([c]%10([c]%121C)C)C)C)C)(Sc1ccccc1)[c]1([c]3([c]4([c]6([c]51C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions
• Authors of publication: Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 22
• Pages of publication: 6492
• a: 14.3616 ± 0.0006 Å
• b: 13.9373 ± 0.0006 Å
• c: 16.9737 ± 0.0007 Å
• α: 90°
• β: 99.0564 ± 0.001°
• γ: 90°
• Cell volume: 3355.1 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0559
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No