Information card for entry 4077983

Structure parameters

• Formula: C7 Mn2 O7 S2
• Calculated formula: C7 Mn2 O7 S2
• Title of publication: QTAIM View of Metal‒Metal Bonding in Di- and Trinuclear Disulfido Carbonyl Clusters
• Authors of publication: Farrugia, Louis J.; Evans, Cameron; Senn, Hans Martin; Hänninen, Mikko M.; Sillanpää, Reijo
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 7
• Pages of publication: 2559
• a: 6.7549 ± 0.0001 Å
• b: 9.9824 ± 0.0001 Å
• c: 17.0218 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1147.78 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0115
• Residual factor for significantly intense reflections: 0.0106
• Weighted residual factors for all reflections included in the refinement: 0.0112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.47
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No