Information card for entry 4305538

Structure parameters

• Formula: C16 H23 Fe2 N O11 P2
• Calculated formula: C16 H23 Fe2 N O11 P2
• SMILES: [Fe]12([Fe]([P](N([P]1(OCC)OCC)C)(OCC)OCC)(C#[O])(C#[O])(C#[O])C2=O)(C#[O])(C#[O])C#[O]
• Title of publication: CO-Migration in the Ligand Substitution Process of the Chelating Diphosphite Diiron Complex (μ-pdt)[Fe(CO)3][Fe(CO){(EtO)2PN(Me)P(OEt)2}]
• Authors of publication: Ning Wang; Mei Wang; Tianbiao Liu; Ping Li; Tingting Zhang; Marcetta Y. Darensbourg; Licheng Sun
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 6948 - 6955
• a: 8.898 ± 0.003 Å
• b: 22.316 ± 0.006 Å
• c: 12.599 ± 0.003 Å
• α: 90°
• β: 91.326 ± 0.003°
• γ: 90°
• Cell volume: 2501.1 ± 1.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No