Information card for entry 4325971

Structure parameters

• Formula: C23 H21 Fe3 O7 P
• Calculated formula: C23 H21 Fe3 O7 P
• SMILES: [Fe]123456([Fe]789%10([P]1([Fe](C#[O])(C#[O])(C#[O])C#[O])C1CCCCC1)(C#[O])(C2=O)[cH]1[cH]%10[cH]9[cH]8[cH]71)(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: 11.0549 ± 0.001 Å
• b: 14.844 ± 0.0012 Å
• c: 16.0361 ± 0.0018 Å
• α: 109.399 ± 0.008°
• β: 109.268 ± 0.007°
• γ: 90.931 ± 0.009°
• Cell volume: 2319.6 ± 0.4 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No