Information card for entry 7035669

Structure parameters

• Formula: C20 H39 Cl4 Mo2 N7 O10
• Calculated formula: C20 H39 Cl4 Mo2 N7 O10
• 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: 9.6274 ± 0.0007 Å
• b: 12.3705 ± 0.0009 Å
• c: 16.45 ± 0.0011 Å
• α: 96.854 ± 0.003°
• β: 105.901 ± 0.003°
• γ: 107.175 ± 0.004°
• Cell volume: 1756.9 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0427
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No