Information card for entry 2103786

Structure parameters

• Chemical name: Dicarbonyl-(eta$5!-cyclopentadienyl)-(sulfur dioxide)-iron(iii) hexafluoroarsenate
• Formula: C7 H5 As F6 Fe O4 S
• Calculated formula: C7 H5 As F6 Fe O4 S
• SMILES: [cH]12[cH]3[Fe]452([cH]1[cH]4[cH]35)(C#[O])([S](=O)=O)C#[O].[F-][As](F)(F)(F)(F)F
• Title of publication: 22 Space-group changes
• Authors of publication: Clemente, Dore Augusto; Marzotto, Armando
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: 43 - 50
• a: 8.068 ± 0.002 Å
• b: 13.904 ± 0.004 Å
• c: 11.285 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1265.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0048
• Residual factor for significantly intense reflections: 0.0046
• Weighted residual factors for significantly intense reflections: 0.0225
• Weighted residual factors for all reflections included in the refinement: 0.0239
• Goodness-of-fit parameter for all reflections included in the refinement: 0.146
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No