Information card for entry 2233573

Structure parameters

• Chemical name: Oxymatrinium tetrachloridoferrate(III)
• Formula: C15 H25 Cl4 Fe N2 O2
• Calculated formula: C15 H25 Cl4 Fe N2 O2
• SMILES: [Fe](Cl)(Cl)(Cl)[Cl-].[N+]12(CCC[C@@H]3[C@H]1[C@H](CCC2)[C@H]1CCCC(=O)N1C3)O
• Title of publication: Oxymatrinium tetrachloridoferrate(III)
• Authors of publication: He, Xiong; Wei, Xing Chuan; Tian, Yu Chang; Lai, Jia Xiong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m137
• a: 7.7919 ± 0.0004 Å
• b: 11.9518 ± 0.0006 Å
• c: 21.1315 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1967.92 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes