Information card for entry 4325974

Structure parameters

• Formula: C46 H44 Cl2 Co2 Fe4 O13 P2
• Calculated formula: C46 H44 Cl2 Co2 Fe4 O13 P2
• SMILES: [Fe]123456([Fe]789%10([P]1(C1CCCCC1)[Co]([P]1([Fe]%11%12%13%14%15([Fe]%16%17%18%191(C#[O])(C%11=O)[cH]1[cH]%19[cH]%18[cH]%17[cH]%161)(C#[O])[cH]1[cH]%12[cH]%13[cH]%14[cH]%151)C1CCCCC1)(C#[O])(C#[O])C#[O])(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.[Co](C#[O])(C#[O])(C#[O])C#[O].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: 37.8398 ± 0.0006 Å
• b: 37.8398 ± 0.0006 Å
• c: 19.7609 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 24503.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No