Information card for entry 2006567

Structure parameters

• Formula: C15 H20 Cl3 Fe N4 O4
• Calculated formula: C15 H20 Cl3 Fe N4 O4
• SMILES: [Fe]123(Cl)(Cl)[n]4c(cccc4)C[NH]1CCC[NH]2Cc1[n]3cccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: A <i>cis</i>-Octahedral Dichloro Complex of Fe^III^ with a Tetradentate Dipyridyl‒Diamino Ligand
• Authors of publication: Alcock, Nathaniel W.; Rybak-Akimova, Elena V.; Busch, Daryle H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 1385 - 1387
• a: 12.2981 ± 0.001 Å
• b: 12.873 ± 0.003 Å
• c: 12.508 ± 0.003 Å
• α: 90°
• β: 97.358 ± 0.01°
• γ: 90°
• Cell volume: 1963.9 ± 0.7 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0748
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections: 0.1137
• Weighted residual factors for significantly intense reflections: 0.1001
• Goodness-of-fit parameter for all reflections: 1.032
• Goodness-of-fit parameter for significantly intense reflections: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No