Information card for entry 4325975

Structure parameters

• Formula: C24 H21 Cr Fe2 O8 P
• Calculated formula: C24 H21 Cr Fe2 O8 P
• SMILES: [Fe]123456([Cr]([P]1([Fe]1789(C#[O])(C#[O])[cH]%10[cH]1[cH]7[cH]8[cH]9%10)C1CCCCC1)(C2=O)(C#[O])(C#[O])(C#[O])C#[O])(C#[O])[cH]1[cH]6[cH]5[cH]4[cH]31
• 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: 9.7622 ± 0.0002 Å
• b: 18.5003 ± 0.0003 Å
• c: 13.3338 ± 0.0002 Å
• α: 90°
• β: 95.024 ± 0.001°
• γ: 90°
• Cell volume: 2398.88 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No