Information card for entry 4123389

Structure parameters

• Formula: C108 H92 B2 Cl4 F30 Mo2 O12 P4
• Calculated formula: C108 H92 B2 Cl4 F30 Mo2 O12 P4
• Title of publication: Combination of Redox-Active Ligand and Lewis Acid for Dioxygen Reduction with π-Bound Molybdenum-Quinonoid Complexes.
• Authors of publication: Henthorn, Justin T.; Lin, Sibo; Agapie, Theodor
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 4
• Pages of publication: 1458 - 1464
• a: 12.5114 ± 0.0011 Å
• b: 15.1452 ± 0.0014 Å
• c: 15.6129 ± 0.0014 Å
• α: 64.704 ± 0.003°
• β: 81.599 ± 0.003°
• γ: 85.342 ± 0.003°
• Cell volume: 2645.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1379
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No