Information card for entry 7203704

Structure parameters

• Formula: C38 H30 As Fe N2 O9
• Calculated formula: C38 H30 As Fe N2 O9
• SMILES: [Fe]123([n]4ccccc4c4[n]1cccc4)(OC(=O)C(=O)O2)OC(=O)C(=O)O3.[As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.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: 14.565 ± 0.003 Å
• b: 13.618 ± 0.003 Å
• c: 18.393 ± 0.004 Å
• α: 90°
• β: 111.28 ± 0.03°
• γ: 90°
• Cell volume: 3399.4 ± 1.4 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: 0.0549
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No