Information card for entry 4329868

Structure parameters

• Formula: C37 H32 F12 N8 O8 P2 Re2
• Calculated formula: C37 H24 F12 N8 O8 P2 Re2
• Title of publication: Proton-Coupled Electron Transfer between 4-Cyanophenol and Photoexcited Rhenium(I) Complexes with Different Protonatable Sites
• Authors of publication: Catherine Bronner; Oliver S. Wenger
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 8275 - 8283
• a: 23.463 ± 0.004 Å
• b: 9.4086 ± 0.0016 Å
• c: 21.361 ± 0.003 Å
• α: 90°
• β: 109.374 ± 0.008°
• γ: 90°
• Cell volume: 4448.5 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0266
• Residual factor for significantly intense reflections: 0.0174
• Weighted residual factors for significantly intense reflections: 0.0356
• Weighted residual factors for all reflections included in the refinement: 0.0402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No