Information card for entry 4327572

Structure parameters

• Chemical name: Dicarbonyl(η^2^-maleic anhydride)(2-pyridylbis(diphenylphosphino)methane iron(0)
• Formula: C36 H27 Fe N O5 P2
• Calculated formula: C36 H27 Fe N O5 P2
• SMILES: [Fe]12([P](c3ccccc3)(c3ccccc3)C(P(c3ccccc3)c3ccccc3)c3[n]1cccc3)(C#[O])(C#[O])[CH]1C(=O)OC(=O)[CH]2=1
• Title of publication: Synthetic and Structural Studies of the Coordination Behavior of 2-Pyridylbis(diphenylphosphino)methane
• Authors of publication: Joel T. Mague; Jamin L. Krinsky
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1962 - 1971
• a: 9.8996 ± 0.0007 Å
• b: 13.8066 ± 0.0007 Å
• c: 23.283 ± 0.0013 Å
• α: 90°
• β: 93.549 ± 0.005°
• γ: 90°
• Cell volume: 3176.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.142
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No