Information card for entry 2224100

Structure parameters

• Chemical name: 2-Carbamylpyridinium tetrachloridoferrate(III)
• Formula: C6 H7 Cl4 Fe N2 O
• Calculated formula: C6 H7 Cl4 Fe N2 O
• SMILES: O=C(N)c1[nH+]cccc1.[Fe](Cl)(Cl)(Cl)[Cl-]
• Title of publication: 2-Carbamylpyridinium tetrachloridoferrate(III)
• Authors of publication: Nielsen, Anne; McKenzie, Christine J.; Bond, Andrew D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1359
• a: 13.5252 ± 0.0008 Å
• b: 6.1704 ± 0.0003 Å
• c: 14.1165 ± 0.0007 Å
• α: 90°
• β: 93.853 ± 0.002°
• γ: 90°
• Cell volume: 1175.44 ± 0.11 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes