Information card for entry 4067738

Structure parameters

• Formula: C33 H29 Cl2 Fe2 N O5 P2 S2
• Calculated formula: C33 H29 Cl2 Fe2 N O5 P2 S2
• SMILES: C(#[O])[Fe]123(C#[O])[P](c4ccccc4)(c4ccccc4)CN(C[S]1[Fe]3(C#[O])(C#[O])(C#[O])[P](c1ccccc1)(c1ccccc1)S2)C.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: 15.9177 ± 0.0004 Å
• b: 17.2413 ± 0.0005 Å
• c: 25.658 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7041.6 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No