Information card for entry 2021560

Structure parameters

• Chemical name: Pentacarbonyl(2,2-difluoropropanethioato-κ<i>S</i>)manganese(I)
• Formula: C8 H3 F2 Mn O6 S
• Calculated formula: C8 H3 F2 Mn O6 S
• Title of publication: Crystal structure of pentacarbonyl(2,2-difluoropropanethioato-κS)manganese(I)
• Authors of publication: Daran, Jean-Claude; Morales-Cerrada, Roberto; Fliedel, Christophe; Gayet, Florence; Ladmiral, Vincent; Ameduri, Bruno; Poli, Rinaldo
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 5
• Pages of publication: 529
• a: 6.3503 ± 0.0004 Å
• b: 14.9583 ± 0.0009 Å
• c: 12.3127 ± 0.0009 Å
• α: 90°
• β: 97.149 ± 0.003°
• γ: 90°
• Cell volume: 1160.49 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No