Information card for entry 2226035

Structure parameters

• Chemical name: {1,3-Bis[(diphenylphosphanyl-κ<i>P</i>)oxy]propane}dicarbonyliron(0)
• Formula: C29 H26 Fe O4 P2
• Calculated formula: C29 H26 Fe O4 P2
• SMILES: [Fe]1([P](c2ccccc2)(c2ccccc2)OCCCO[P]1(c1ccccc1)c1ccccc1)(C#[O])C#[O]
• Title of publication: {1,3-Bis[(diphenylphosphanyl-κ<i>P</i>)oxy]propane}dicarbonyliron(0)
• Authors of publication: Xu, Guoqiang; Li, Xiaoyan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m544
• a: 12.589 ± 0.003 Å
• b: 15.191 ± 0.003 Å
• c: 14.384 ± 0.003 Å
• α: 90°
• β: 106.14 ± 0.03°
• γ: 90°
• Cell volume: 2642.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0877
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes