Information card for entry 2220872

Structure parameters

• Chemical name: 2-Acetylpyridinium 3-amino-2-chloropyridinium tetrachloridocobaltate(II)
• Formula: C12 H14 Cl5 Co N3 O
• Calculated formula: C12 H14 Cl5 Co N3 O
• SMILES: [Co](Cl)(Cl)([Cl-])[Cl-].[nH+]1c(Cl)c(N)ccc1.[nH+]1c(C(=O)C)cccc1
• Title of publication: 2-Acetylpyridinium 3-amino-2-chloropyridinium tetrachloridocobaltate(II)
• Authors of publication: Adamski, Ariel; Patroniak, Violetta; Kubicki, Maciej
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m175 - m176
• a: 7.3255 ± 0.0005 Å
• b: 8.3188 ± 0.0005 Å
• c: 16.2657 ± 0.0011 Å
• α: 89.114 ± 0.005°
• β: 82.806 ± 0.005°
• γ: 64.145 ± 0.006°
• Cell volume: 884.13 ± 0.11 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes