Information card for entry 2005924

Structure parameters

• Formula: C20 H5 F3 Fe4 O11
• Calculated formula: C20 H5 F3 Fe4 O11
• SMILES: [Fe]1234(C5([Fe]16(C#[O])(C#[O])C#[O])[Fe]26(C3(C45[Fe]([cH]12)([cH]13)([cH]21)([cH]12)([cH]23)(C#[O])C#[O])C(F)(F)F)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: A Tetranuclear Iron Cluster Complex: [{Fe(CO)~3~}~3~{μ~3~-CC[Fe(CO)~2~(η^5^-C~5~H~5~)]C(CF~3~)}]
• Authors of publication: Muir, K. W.; Manojlovic-Muir, L.; Morrice, F.; Guennou, K.; Pétillon, F.; Rumin, R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 219 - 222
• a: 29.3869 ± 0.0014 Å
• b: 12.1954 ± 0.0008 Å
• c: 13.57 ± 0.0009 Å
• α: 90°
• β: 103.845 ± 0.005°
• γ: 90°
• Cell volume: 4722 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for all reflections: 0.0941
• Weighted residual factors for significantly intense reflections: 0.0741
• Goodness-of-fit parameter for all reflections: 1.023
• Goodness-of-fit parameter for significantly intense reflections: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No