Information card for entry 4514280

Structure parameters

• Formula: C26 H28 N4 O7 Ru S
• Calculated formula: C26 H28 N4 O7 Ru S
• Title of publication: Hydrogen Bonding Rescues Overpotential in Seven-Coordinated Ru Water Oxidation Catalysts
• Authors of publication: Matheu, Roc; Ertem, Mehmed Z.; Gimbert-Suriñach, Carolina; Benet-Buchholz, Jordi; Sala, Xavier; Llobet, Antoni
• Journal of publication: ACS Catalysis
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 10
• Pages of publication: 6525
• a: 11.051 ± 0.0014 Å
• b: 15.235 ± 0.002 Å
• c: 16.459 ± 0.002 Å
• α: 90°
• β: 105.354 ± 0.004°
• γ: 90°
• Cell volume: 2672.2 ± 0.6 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: 0.043
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No