Information card for entry 2214146

Structure parameters

• Chemical name: Tetraethylammonium dichlorido[N,N'-(4,5-dichloro-o-phenylene)bis(4-tert- butylpyridine-2-carboxamide)-κ^4^N]iron(III) acetonitrile solvate
• Formula: C35 H47 Cl7 Fe N5 O2
• Calculated formula: C35 H47 Cl7 Fe N5 O2
• Title of publication: Tetraethylammonium dichlorido[<i>N</i>,<i>N</i>'-(4,5-dichloro-<i>o</i>-phenylene)bis(4-<i>tert</i>-butylpyridine-2-carboxamide)-κ^4^<i>N</i>]ferrate(III) acetonitrile solvate
• Authors of publication: Xiao-Bin Xu; Li Yang; Yan-Yang Qu; Li-Xin Li; Xiang-Ge Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1790 - m1790
• a: 11.174 ± 0.0017 Å
• b: 26.598 ± 0.004 Å
• c: 15 ± 0.002 Å
• α: 90°
• β: 108.38 ± 0.003°
• γ: 90°
• Cell volume: 4230.7 ± 1.1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1565
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.2019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes