Information card for entry 4317548

Structure parameters

• Formula: C32 H28 Fe2 O4 P2 S2
• Calculated formula: C32 H28 Fe2 O4 P2 S2
• SMILES: [Fe]123([Fe]4([S]1CC[P]3(c1ccccc1)c1ccccc1)([S]2CC[P]4(c1ccccc1)c1ccccc1)(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Oxidative Addition of Phosphine-Tethered Thiols to Iron Carbonyl: Binuclear Phosphinothiolate Complexes, (μ-SCH2CH2PPh2)2Fe2(CO)4, and Hydride Derivatives
• Authors of publication: Xuan Zhao; Yui-May Hsiao; Chia-Huei Lai; Joseph H. Reibenspies; Marcetta Y. Darensbourg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 699 - 708
• a: 11.242 ± 0.003 Å
• b: 12.021 ± 0.002 Å
• c: 12.03 ± 0.003 Å
• α: 103.83 ± 0.03°
• β: 104.83 ± 0.02°
• γ: 94.23 ± 0.02°
• Cell volume: 1510.2 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.1381
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No