Information card for entry 1542765

Structure parameters

• Formula: C50.5 H43.25 Cl2 N13.75 O10 Ru2
• Calculated formula: C50.5 H43.25 Cl2 N13.75 O10 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: 15.1819 ± 0.0015 Å
• b: 26.556 ± 0.002 Å
• c: 15.5336 ± 0.0019 Å
• α: 90°
• β: 112.382 ± 0.004°
• γ: 90°
• Cell volume: 5790.9 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1422
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.2548
• Weighted residual factors for all reflections included in the refinement: 0.2835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No