Information card for entry 1540630

Structure parameters

• Formula: C124 H182 Mo2 N4 O4
• Calculated formula: C112 H154 Mo2 N4 O4
• SMILES: [Mo]1(Oc2c(cc(cc2C(c2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)c1cccc(c1)C1c2c(O[Mo](Oc3c(cc(cc13)C(C)(C)C)C(C)(C)C)(=Nc1c(cccc1C(C)C)C(C)C)=Nc1c(cccc1C(C)C)C(C)C)c(cc(c2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)(=Nc1c(cccc1C(C)C)C(C)C)=Nc1c(cccc1C(C)C)C(C)C
• 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: 40.815 ± 0.003 Å
• b: 17.0938 ± 0.0011 Å
• c: 16.3488 ± 0.0011 Å
• α: 90°
• β: 94.82 ± 0.001°
• γ: 90°
• Cell volume: 11365.9 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No