Information card for entry 7030416

Structure parameters

• Common name: (mu!2$-1,2-bis(dimethylphosphine)ethane-P,P')- bis((carboyl)(acetyl) (eta$5!-cyclopentadienyl)iron(ii))
• Chemical name: (μ~2~-1,2-bis(dimethylphosphine)ethane-P,P')- bis((carboyl)(acetyl) (η^5^-cyclopentadienyl)iron(ii))
• Formula: C22 H32 Fe2 O4 P2
• Calculated formula: C22 H32 Fe2 O4 P2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]2[Fe]1345(C#[O])(C(=O)C)[P](C)(C)CC[P](C)(C)[Fe]1234([cH]5[cH]4[cH]3[cH]2[cH]15)(C#[O])C(=O)C
• Title of publication: Phosphine induced migratory CO insertion into the Fe-CH2 bond of the organometallic polymer -[(eta(5)-C5H4)Fe(CO)2CH2SiMe2]n- and characterization of model iron complexes.
• Authors of publication: Kumar, Mukesh; Metta-Magana, A J; Sharma, Hemant K.; Pannell, Keith H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 30
• Pages of publication: 7125 - 7131
• a: 8.8837 ± 0.0007 Å
• b: 11.7307 ± 0.0009 Å
• c: 11.93 ± 0.0009 Å
• α: 90°
• β: 90.048 ± 0.002°
• γ: 90°
• Cell volume: 1243.25 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No