Information card for entry 4075765

Structure parameters

• Formula: C29 H15 Fe4 O11 P S3
• Calculated formula: C29 H15 Fe4 O11 P S3
• SMILES: [Fe]12([Fe]3([P]([S]4[Fe]5([Fe]4(S235)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(c2ccccc2)c2ccccc2)([S]1c1ccccc1)(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• 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: 9.408 ± 0.004 Å
• b: 10.438 ± 0.004 Å
• c: 19.084 ± 0.008 Å
• α: 91.396 ± 0.007°
• β: 103.41 ± 0.007°
• γ: 106.192 ± 0.006°
• Cell volume: 1742.7 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0815
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No