Information card for entry 7035668

Structure parameters

• Formula: C18 H22 Cl2 Mo N2 O4
• Calculated formula: C18 H22 Cl2 Mo N2 O4
• SMILES: CN(C)C(c1ccccc1)=[O][Mo](=O)(Cl)([O]=C(c1ccccc1)N(C)C)(=O)Cl
• Title of publication: Dichlorodioxomolybdenum(vi) complexes bearing oxygen-donor ligands as olefin epoxidation catalysts.
• Authors of publication: Oliveira, Tânia S M; Gomes, Ana C.; Lopes, André D; Lourenço, João P; Almeida Paz, Filipe A.; Pillinger, Martyn; Gonçalves, Isabel S
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 31
• Pages of publication: 14139 - 14148
• a: 16.9586 ± 0.0011 Å
• b: 27.5327 ± 0.0019 Å
• c: 8.5225 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3979.3 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No