Information card for entry 4130714

Structure parameters

• Formula: C22 H16 Cl9 N4 O8 Ru2
• Calculated formula: C22 H16 Cl9 N4 O8 Ru2
• Title of publication: A Synthetic Oxygen Atom Transfer Photocycle from a Diruthenium Oxyanion Complex.
• Authors of publication: Corcos, Amanda R.; Pap, József S; Yang, Tzuhsiung; Berry, John F.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 31
• Pages of publication: 10032 - 10040
• a: 11.5392 ± 0.0006 Å
• b: 16.7038 ± 0.0009 Å
• c: 16.6387 ± 0.0009 Å
• α: 90°
• β: 93.965 ± 0.003°
• γ: 90°
• Cell volume: 3199.4 ± 0.3 ų
• Cell temperature: 100.1 K
• Ambient diffraction temperature: 100.1 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: 0.0617
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No