Information card for entry 4319647

Structure parameters

• Chemical name: Dicarbonyl-cis-dihydrido-trans-bis(triphenylphosphite)iron(II)
• Formula: C38 H32 Fe O8 P2
• Calculated formula: C38 H32 Fe O8 P2
• SMILES: [FeH2]([P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)([P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)(C#[O])C#[O]
• Title of publication: Crystal Structure, Mössbauer Spectra, and Thermal Behavior of H2Fe(CO)2[P(OPh)3]2
• Authors of publication: Vladimir Arion; Jean-Jacques Brunet; Denis Neibecker
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2628 - 2630
• a: 9.6397 ± 0.0012 Å
• b: 10.441 ± 0.0013 Å
• c: 18.381 ± 0.002 Å
• α: 102.148 ± 0.015°
• β: 94.667 ± 0.015°
• γ: 107.402 ± 0.014°
• Cell volume: 1705 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No