Information card for entry 4514029

Structure parameters

• Formula: C61 H60 F12 N10 O7 P2 Ru2
• Calculated formula: C61 H60 F12 N10 O7 P2 Ru2
• Title of publication: Backbone Immobilization of the Bis(bipyridyl)pyrazolate Diruthenium Catalyst for Electrochemical Water Oxidation
• Authors of publication: Odrobina, Jann; Scholz, Julius; Pannwitz, Andrea; Francàs, Laia; Dechert, Sebastian; Llobet, Antoni; Jooss, Christian; Meyer, Franc
• Journal of publication: ACS Catalysis
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 3
• Pages of publication: 2116
• a: 18.7376 ± 0.0007 Å
• b: 22.1944 ± 0.0008 Å
• c: 15.7519 ± 0.0006 Å
• α: 90°
• β: 90.788 ± 0.003°
• γ: 90°
• Cell volume: 6550.1 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0558
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No