Information card for entry 2201128

Structure parameters

• Formula: C26 H30 Cl4 Fe N5 O2
• Calculated formula: C26 H30 Cl4 Fe N5 O2
• SMILES: [Fe]123(Cl)(Cl)[n]4ccccc4C(=O)N1c1cc(Cl)c(Cl)cc1N2C(=O)c1[n]3cccc1.[N+](CC)(CC)(CC)CC
• Title of publication: Tetraethylammonium dichloro[4,5-dichloro-1,2-bis(2-pyridine-2-carboxamido)benzene]ferrate(III), [Et~4~N][(bpc)FeCl~2~]
• Authors of publication: Lee, Sung Jea; Lee, Jun Yong; Yang, Hyun Woong; Kim, Cheal; Nam, Wonwoo; Kim, Youngmee
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: m313 - m315
• a: 8.752 ± 0.002 Å
• b: 10.473 ± 0.002 Å
• c: 15.685 ± 0.003 Å
• α: 90°
• β: 101.94 ± 0.02°
• γ: 90°
• Cell volume: 1406.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1195
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes