Information card for entry 7706130

Structure parameters

• Formula: C33.6 H27.8 F6 N5 O7.8 Ru S2
• Calculated formula: C33.6 H27.8 F6 N5 O7.8 Ru S2
• Title of publication: A broad view on the complexity involved in water oxidation catalysis based on Ru-bpn complexes.
• Authors of publication: Ghaderian, Abolfazl; Franke, Alicja; Gil-Sepulcre, Marcos; Benet-Buchholz, Jordi; Llobet, Antoni; Ivanović-Burmazović, Ivana; Gimbert-Suriñach, Carolina
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 47
• Pages of publication: 17375 - 17387
• a: 23.8599 ± 0.0017 Å
• b: 13.0679 ± 0.0009 Å
• c: 26.5063 ± 0.0018 Å
• α: 90°
• β: 93.5948 ± 0.0019°
• γ: 90°
• Cell volume: 8248.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.2088
• Weighted residual factors for all reflections included in the refinement: 0.2302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No