Information card for entry 2205716

Structure parameters

• Chemical name: Pentacarbonyl (diphenyl(N-propylamine)phosphine) diiron(μ-1,3-dithiolate propane)
• Formula: C23 H24 Fe2 N O5 P S2
• Calculated formula: C23 H24 Fe2 N O5 P S2
• SMILES: [Fe]12([Fe]3([S]1CCC[S]23)(C#[O])(C#[O])C#[O])([P](c1ccccc1)(c1ccccc1)NCCC)(C#[O])C#[O]
• Title of publication: Pentacarbonyl(diphenyl(<i>N</i>-propylamine)phosphine)diiron(μ-1,3-propanedithiolate)
• Authors of publication: Ekström, Jesper; Ott, Sascha; Sun, Licheng; Åkermark, Björn; Eriksson, Lars
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m852 - m853
• a: 8.682 ± 0.001 Å
• b: 9.421 ± 0.001 Å
• c: 32.108 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2626.2 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.123
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes