Information card for entry 1518760

Structure parameters

• Common name: Rubpyperoxocryptand
• Formula: C193.98 H267.94 N41 O29 Ru2
• Calculated formula: C193.98 H267.94 N41 O29 Ru2
• Title of publication: Ultrafast Photoinduced Electron Transfer from Peroxide Dianion.
• Authors of publication: Anderson, Bryce L.; Maher, Andrew G.; Nava, Matthew; Lopez, Nazario; Cummins, Christopher C.; Nocera, Daniel G.
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2015
• Journal volume: 119
• Journal issue: 24
• Pages of publication: 7422 - 7429
• a: 29.8268 ± 0.0015 Å
• b: 17.7117 ± 0.0009 Å
• c: 38.0786 ± 0.0019 Å
• α: 90°
• β: 96.79 ± 0.0007°
• γ: 90°
• Cell volume: 19975.2 ± 1.7 ų
• Cell temperature: 15 ± 2 K
• Ambient diffraction temperature: 15 ± 2 K
• Number of distinct elements: 5
• 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: 0.0884
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1923
• Weighted residual factors for all reflections included in the refinement: 0.2154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No