Information card for entry 2206600

Structure parameters

• Chemical name: Di-μ-diphenylphosphido-bis[tricarbonyliron(II)] dichloromethane solvate
• Formula: C31 H22 Cl2 Fe2 O6 P2
• Calculated formula: C31 H22 Cl2 Fe2 O6 P2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)[Fe]2([P](c3ccccc3)(c3ccccc3)[Fe]12(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].C(Cl)Cl
• Title of publication: Di-μ-diphenylphosphido-bis[tricarbonyliron(II)] dichloromethane solvate
• Authors of publication: María Gabriela Ballinas-López; Itzia I. Padilla-Martínez; Francisco J. Martínez-Martínez; Herbert Höpfl; Efrén V. García-Báez
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1475 - m1477
• a: 11.3218 ± 0.0011 Å
• b: 12.7214 ± 0.0013 Å
• c: 11.8011 ± 0.0012 Å
• α: 90°
• β: 105.976 ± 0.002°
• γ: 90°
• Cell volume: 1634.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes