Information card for entry 4347547

Structure parameters

• Formula: C138 H170 F12 Mo4 N2 O30 P8 S4
• Calculated formula: C138 H170 F12 Mo4 N2 O30 P8 S4
• Title of publication: Modulation of Proton-Coupled Electron Transfer through Molybdenum-Quinonoid Interactions.
• Authors of publication: Henthorn, Justin T.; Agapie, Theodor
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 5337 - 5342
• a: 30.285 ± 0.003 Å
• b: 26.445 ± 0.002 Å
• c: 17.9449 ± 0.0013 Å
• α: 90°
• β: 93.729 ± 0.002°
• γ: 90°
• Cell volume: 14341 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1027
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No