Information card for entry 1540628

Structure parameters

• Formula: C80 H106 F10 Mo2 N4 O4
• Calculated formula: C80 H106 F10 Mo2 N4 O4
• Title of publication: Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability
• Authors of publication: Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl
• Journal of publication: Catalysts
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 4
• Pages of publication: 1928
• a: 14.2727 ± 0.0008 Å
• b: 15.4944 ± 0.0008 Å
• c: 18.0242 ± 0.001 Å
• α: 90°
• β: 98.4505 ± 0.001°
• γ: 90°
• Cell volume: 3942.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No