Information card for entry 1554623

Structure parameters

• Formula: C26 H41 F12 Fe N P2 Ru S3
• Calculated formula: C26 H41 F12 Fe N P2 Ru S3
• 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: 11.8 ± 0.004 Å
• b: 15.608 ± 0.006 Å
• c: 18.603 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3426 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.2214
• Weighted residual factors for all reflections included in the refinement: 0.231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No