Information card for entry 4075766

Structure parameters

• Formula: C42 H32 Cl2 Fe2 O5 P2 S2
• Calculated formula: C42 H32 Cl2 Fe2 O5 P2 S2
• SMILES: [Fe]12([Fe]([P](S1)(c1ccccc1)c1ccccc1)([S]2c1ccccc1)(C#[O])(C#[O])C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O].C(Cl)Cl
• Title of publication: Unexpected Preparation of Butterfly Fe/S Cluster Complexes Containing a Quaternary Phosphorus Atom via Reactions of the Anions (μ-RS)(μ-S-)Fe2(CO)6and (μ-RS)(μ-S-)[Fe2(CO)6]2(μ4-S) with Diphenylchlorophosphine
• Authors of publication: Song, Li-Cheng; Zeng, Guang-Huai; Hu, Qing-Mei; Ge, Jian-Hua; Lou, Shao-Xia
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 1
• Pages of publication: 16
• a: 10.074 ± 0.009 Å
• b: 13.125 ± 0.012 Å
• c: 15.977 ± 0.014 Å
• α: 84.964 ± 0.016°
• β: 83.658 ± 0.016°
• γ: 89.174 ± 0.017°
• Cell volume: 2091 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1221
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1593
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No