Information card for entry 7133079

Structure parameters

• Formula: C21 H16 N4 O5 Ru S
• Calculated formula: C21 H16 N4 O5 Ru S
• Title of publication: Adaptive water oxidation catalysis on a carboxylate-sulfonate ligand with low onset potential.
• Authors of publication: Yang, Jing; Zhan, Shaoqi; Wang, Linqin; Yang, Hao; Duan, Lele; Fan, Xiaolei; Liu, Tianqi; Sun, Licheng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 48
• Pages of publication: 6162 - 6165
• a: 10.1221 ± 0.0006 Å
• b: 16.1027 ± 0.001 Å
• c: 25.1176 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4094 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No