Information card for entry 4064100

Structure parameters

• Formula: C37 H46 Cl4 Fe4 O3 P2
• Calculated formula: C37 H46 Cl4 Fe4 O3 P2
• SMILES: [C]12(=O)[Fe]3456789(C(=O)[Fe]%10%11%12%13%1429([Fe]29%15%16%1714([P]3(C1CCCCC1)[Fe]134%18(C#[O])([cH]%19[cH]4[cH]%18[cH]3[cH]1%19)[P]%10%15C1CCCCC1)[cH]1[cH]2[cH]9[cH]%17[cH]%161)[cH]1[cH]%11[cH]%12[cH]%13[cH]%141)[cH]1[cH]6[cH]7[cH]8[cH]51.C(Cl)Cl.C(Cl)Cl
• Title of publication: Synthesis and Decarbonylation Reactions of Diiron Cyclopentadienyl Complexes with Bent-Phosphinidene Bridges
• Authors of publication: Alvarez, M. Angeles; García, M. Esther; González, Rocío; Ramos, Alberto; Ruiz, Miguel A.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 5
• Pages of publication: 1102
• a: 18.6619 ± 0.0007 Å
• b: 19.2134 ± 0.0006 Å
• c: 10.4001 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3729 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No