Information card for entry 4328128

Structure parameters

• Formula: C34 H35 F6 Mo N3 O3
• Calculated formula: C34 H35 F6 Mo N3 O3
• SMILES: [Mo]12([N](=C(C=C(O1)C(F)(F)F)C)c1c(cccc1C)C)([N](=C(C=C(O2)C(F)(F)F)C)c1c(cccc1C)C)(=Nc1c(cccc1C)C)=O
• Title of publication: Molybdenum(VI) Dioxo and Oxo-Imido Complexes of Fluorinated β-Ketiminato Ligands and Their Use in OAT Reactions
• Authors of publication: Manuel Volpe; Nadia C. Mösch-Zanetti
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1440 - 1449
• a: 12.1333 ± 0.0009 Å
• b: 14.5487 ± 0.0011 Å
• c: 20.249 ± 0.0014 Å
• α: 95.261 ± 0.003°
• β: 97.153 ± 0.003°
• γ: 109.447 ± 0.003°
• Cell volume: 3310.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0579
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No