Information card for entry 4325976

Structure parameters

• Formula: C23 H21 Fe3 O7 P
• Calculated formula: C23 H21 Fe3 O7 P
• SMILES: [Fe]123456([Fe]([P]1([Fe]1789(C#[O])(C#[O])[cH]%10[cH]9[cH]8[cH]7[cH]1%10)C1CCCCC1)(C2=O)(C#[O])(C#[O])C#[O])(C#[O])[cH]1[cH]3[cH]4[cH]5[cH]61
• Title of publication: Heterometallic Derivatives of [Fe2Cp2(μ-PCy)(μ-CO)(CO)2]: Rational Synthesis of Polynuclear Complexes from Neutral Precursors Having Pyramidal-Phosphinidene Bridges
• Authors of publication: M. Angeles Alvarez; M. Esther García; Rocío González; Alberto Ramos; Miguel A. Ruiz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7894 - 7906
• a: 11.984 ± 0.0002 Å
• b: 13.8562 ± 0.0003 Å
• c: 17.5092 ± 0.0004 Å
• α: 90°
• β: 123.355 ± 0.001°
• γ: 90°
• Cell volume: 2428.53 ± 0.09 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0721
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No