Information card for entry 7030417

Structure parameters

• Common name: (mu!2$-1,4-bis(dibenzylphosphine)butane-P,P')- bis((carboyl)(acetyl) (eta$5!-cyclopentadienyl)iron(ii)) benzene hemisolvate
• Chemical name: (μ~2~-1,4-bis(dibenzylphosphine)butane-P,P')- bis((carboyl)(acetyl) (η^5^-cyclopentadienyl)iron(ii)) benzene hemisolvate
• Formula: C47 H47 Fe2 O4 P2
• Calculated formula: C47 H47 Fe2 O4 P2
• 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: 18.989 ± 0.007 Å
• b: 20.819 ± 0.008 Å
• c: 20.946 ± 0.008 Å
• α: 90°
• β: 91.567 ± 0.009°
• γ: 90°
• Cell volume: 8278 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1197
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.1869
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No