Information card for entry 1540632

Structure parameters

• Formula: C28 H44 Cl2 Mo N2 O2
• Calculated formula: C28 H44 Cl2 Mo N2 O2
• SMILES: [Mo]1(=Nc2c(cccc2C(C)C)C(C)C)([O](CC[O]1C)C)(=Nc1c(C(C)C)cccc1C(C)C)(Cl)Cl
• 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: 10.0491 ± 0.001 Å
• b: 10.6022 ± 0.0011 Å
• c: 15.6133 ± 0.0019 Å
• α: 92.902 ± 0.009°
• β: 90.577 ± 0.009°
• γ: 112.932 ± 0.008°
• Cell volume: 1529.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1214
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No