Information card for entry 7203706

Structure parameters

• Formula: C42 H38 Fe2 N6 Na O19
• Calculated formula: C42 H28 Fe2 N6 Na O19
• SMILES: C1(=O)C(=O)O[Fe]23(O1)(OC(C(=O)O2)=O)OC(=O)C(=O)O3.[Na+].O.c1ccc2ccc3ccc[n]4c3c2[n]1[Fe]124([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.O.O.O.O.O.O
• Title of publication: Bis and tris(oxalato)ferrate(iii) complexes as precursors of polynuclear compounds
• Authors of publication: Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 57
• a: 10.436 ± 0.002 Å
• b: 29.919 ± 0.006 Å
• c: 14.882 ± 0.003 Å
• α: 90°
• β: 99.47 ± 0.03°
• γ: 90°
• Cell volume: 4583.4 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1441
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.2155
• Weighted residual factors for all reflections included in the refinement: 0.2587
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No