Information card for entry 4325973

Structure parameters

• Formula: C43 H46 Cl4 Fe5 O9 P2
• Calculated formula: C43 H46 Cl4 Fe5 O9 P2
• SMILES: [Fe]123456([Fe]789%10([P]1([Fe]([P]1([Fe]%11%12%13%14%15([Fe]%16%17%18%191(C#[O])(C%11=O)[cH]1[cH]%16[cH]%17[cH]%18[cH]%191)(C#[O])[cH]1[cH]%12[cH]%13[cH]%14[cH]%151)C1CCCCC1)(C#[O])(C#[O])C#[O])C1CCCCC1)(C#[O])(C2=O)[cH]1[cH]7[cH]8[cH]9[cH]%101)(C#[O])[cH]1[cH]6[cH]5[cH]4[cH]31.C(Cl)Cl.C(Cl)Cl
• 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: 9.0577 ± 0.0017 Å
• b: 11.669 ± 0.002 Å
• c: 22.175 ± 0.004 Å
• α: 94.591 ± 0.003°
• β: 99.17 ± 0.003°
• γ: 95.294 ± 0.003°
• Cell volume: 2293.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No