Information card for entry 7217312

Structure parameters

• Formula: C44 H31 Fe N6 O14 Ta
• Calculated formula: C44 H31 Fe N6 O14 Ta
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Fe]124([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.C(C)O[Ta]123(OC(=O)C(=O)O1)(OC(=O)C(=O)O2)OC(=O)C(=O)O3.O
• Title of publication: New Fe-Ta and Co-Ta oxalate complexes: structural characterization and thermal behaviour ‒ formation of mixed-metal oxides
• Authors of publication: Androš, Lidija; Juric, Marijana; Popović, Jasminka; Planinic, Pavica
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 11.424 ± 0.005 Å
• b: 12.763 ± 0.005 Å
• c: 15.546 ± 0.005 Å
• α: 108.799 ± 0.005°
• β: 92.492 ± 0.005°
• γ: 108.397 ± 0.005°
• Cell volume: 2009.3 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0387
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54179 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No