Information card for entry 4134335

Structure parameters

• Formula: C26 H39 Cs3 N5 O16.5 P2 Ru
• Calculated formula: C26 H39 Cs2.9997 N5 O16.5 P2 Ru
• Title of publication: Second Coordination Sphere Effects in an Evolved Ru Complex Based on a Highly Adaptable Ligand Results in Rapid Water Oxidation Catalysis.
• Authors of publication: Vereshchuk, Nataliia; Matheu, Roc; Benet-Buchholz, Jordi; Pipelier, Muriel; Lebreton, Jacques; Dubreuil, Didier; Tessier, Arnaud; Gimbert-Suriñach, Carolina; Ertem, Mehmed Z.; Llobet, Antoni
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 15.8725 ± 0.001 Å
• b: 17.094 ± 0.001 Å
• c: 17.9384 ± 0.0011 Å
• α: 63.2183 ± 0.0012°
• β: 67.7101 ± 0.0015°
• γ: 71.53 ± 0.0014°
• Cell volume: 3957.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No