Information card for entry 4077984

Structure parameters

• Formula: C23 H15 Fe2 O5 P S2
• Calculated formula: C23 H15 Fe2 O5 P 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: 7.9801 ± 0.0001 Å
• b: 9.4189 ± 0.0001 Å
• c: 16.1198 ± 0.0001 Å
• α: 91.3361 ± 0.0004°
• β: 103.439 ± 0.0004°
• γ: 97.8862 ± 0.0004°
• Cell volume: 1165.38 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0229
• Residual factor for significantly intense reflections: 0.0159
• Weighted residual factors for all reflections included in the refinement: 0.0138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.661
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No