Information card for entry 1542764

Structure parameters

• Formula: C50 H45 Cl F12 N10 O3 P2 Ru2
• Calculated formula: C50 H45 Cl F12 N10 O3 P2 Ru2
• Title of publication: Water oxidation catalysis with ligand substituted Ru‒bpp type complexes
• Authors of publication: Roeser, Stephan; Bozoglian, Fernando; Richmond, Craig J.; League, Aaron B.; Ertem, Mehmed Z.; Francàs, Laia; Miró, Pere; Benet-Buchholz, Jordi; Cramer, Christopher J.; Llobet, Antoni
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 13
• Pages of publication: 5088
• a: 36.067 ± 0.003 Å
• b: 15.5582 ± 0.001 Å
• c: 18.7893 ± 0.0013 Å
• α: 90°
• β: 92.869 ± 0.004°
• γ: 90°
• Cell volume: 10530.2 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.1151
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No