Information card for entry 4067737

Structure parameters

• Formula: C33 H31 Cl4 Fe2 N O4 P2 S2
• Calculated formula: C33 H31 Cl4 Fe2 N O4 P2 S2
• SMILES: C(#[O])[Fe]123(C#[O])[S]4C[N](C[P]3(c3ccccc3)c3ccccc3)(C)[Fe]24(C#[O])(C#[O])[P](c2ccccc2)(c2ccccc2)S1.C(Cl)Cl.C(Cl)Cl
• Title of publication: Reactivity of [Fe2(CO)6(μ-S2)] toward a Base-Containing Diphosphine (Ph2PCH2)2NCH3: Formation of Diiron Carbonyl Compounds Having Polydentate Heterofunctionalized Phosphine (PNS = Ph2PCH2N(CH3)CH2S) and Bidentate Thiophosphinito (Ph2PS = PS) Bridges
• Authors of publication: Lounissi, Sondès; Capon, Jean-François; Gloaguen, Frédéric; Matoussi, Fatma; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 5
• Pages of publication: 1296
• a: 16.5283 ± 0.0008 Å
• b: 14.1976 ± 0.0005 Å
• c: 17.4895 ± 0.0008 Å
• α: 90°
• β: 114.527 ± 0.006°
• γ: 90°
• Cell volume: 3733.8 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No