Information card for entry 4316119

Structure parameters

• Formula: C168 H96 B3 F72 Mn4 N12 O12 S12
• Calculated formula: C168 H96 B3 F72 Mn4 N12 O12 S12
• Title of publication: 1,3,5-Tris(thiocyanatomethyl)mesitylene as a Ligand. Pseudooctahedral Molybdenum, Manganese, and Rhenium Carbonyl Complexes and Copper and Silver Dimers. Copper-Catalyzed Carbene- and Nitrene-Transfer Reactions
• Authors of publication: Héctor Martínez-García; Dolores Morales; Julio Pérez; Marcos Puerto; Daniel Miguel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 6974 - 6985
• a: 21.698 ± 0.0001 Å
• b: 21.698 ± 0.0001 Å
• c: 21.698 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10215.5 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 218
• Hermann-Mauguin space group symbol: P -4 3 n
• Hall space group symbol: P -4n 2 3
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.2187
• Weighted residual factors for all reflections included in the refinement: 0.2272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No