Information card for entry 2229187

Structure parameters

• Chemical name: <i>cis</i>-Di-μ-oxido-bis[(<i>N</i>,<i>N</i>'-diethyldithiocarbamato- κ^2^<i>S</i>,<i>S'</i>)oxidomolybdenum(V)] tetrahydrofuran monosolvate
• Formula: C14 H28 Mo2 N2 O5 S4
• Calculated formula: C14 H28 Mo2 N2 O5 S4
• Title of publication: <i>cis</i>-Di-μ-oxido-bis[(<i>N</i>,<i>N</i>-diethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')oxidomolybdenum(V)](<i>Mo</i>—<i>Mo</i>) tetrahydrofuran monosolvate
• Authors of publication: Fernandes, José A.; Almeida Paz, Filipe A.; Romão, Carlos C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m288 - m289
• a: 12.8695 ± 0.0007 Å
• b: 12.6025 ± 0.0007 Å
• c: 14.4579 ± 0.0008 Å
• α: 90°
• β: 94.184 ± 0.003°
• γ: 90°
• Cell volume: 2338.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.035
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes