Information card for entry 2225372

Structure parameters

• Chemical name: <i>trans</i>-Bis{1,2-bis[bis(2-methoxyethyl)phosphino]ethane}dichloridoiron(II)
• Formula: C28 H64 Cl2 Fe O8 P4
• Calculated formula: C28 H64 Cl2 Fe O8 P4
• SMILES: [Fe]12(Cl)(Cl)([P](CC[P]1(CCOC)CCOC)(CCOC)CCOC)[P](CC[P]2(CCOC)CCOC)(CCOC)CCOC
• Title of publication: <i>trans</i>-Bis{1,2-bis[bis(2-methoxyethyl)phosphino]ethane}dichloridoiron(II)
• Authors of publication: Crossland, Justin L.; Zakharov, Lev N.; Tyler, David R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m256
• a: 12.3417 ± 0.0007 Å
• b: 12.1825 ± 0.0007 Å
• c: 25.3621 ± 0.0015 Å
• α: 90°
• β: 100.124 ± 0.001°
• γ: 90°
• Cell volume: 3753.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes