Information card for entry 4327573

Structure parameters

• Chemical name: Tricarbonyl(2-pyridylbis(diphenylphosphino)methane)iron(0)
• Formula: C33 H25 Fe N O3 P2
• Calculated formula: C33 H25 Fe N O3 P2
• SMILES: [Fe]1([P](C(c2ncccc2)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O]
• 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: 9.2281 ± 0.0012 Å
• b: 9.304 ± 0.0019 Å
• c: 9.442 ± 0.0013 Å
• α: 114.054 ± 0.014°
• β: 93.112 ± 0.011°
• γ: 104.44 ± 0.014°
• Cell volume: 705.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No