Information card for entry 2206828

Structure parameters

• Chemical name: 5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidinium tetrachlorocobaltate(II) monohydrate
• Formula: C14 H20 Cl4 Co N8 O
• Calculated formula: C14 H20 Cl4 Co N8 O
• SMILES: [Co](Cl)(Cl)([Cl-])[Cl-].n1c[nH+]c2nc(C)cc(C)n12.n1c[nH+]c2nc(C)cc(C)n12.O
• Title of publication: 5,7-Dimethyl-1,2,4-triazolo[1,5-a]pyrimidinium tetrachlorocobaltate(II) monohydrate
• Authors of publication: Maldonado, Carmen R.; Quirós, Miguel; Salas, Juan M.; Sánchez, M. Purificación
• Journal of publication: Acta Crystallographica, Section E: Structure Reports Online
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: m1721 - m1723
• a: 7.6369 ± 0.0004 Å
• b: 8.519 ± 0.0004 Å
• c: 18.2777 ± 0.0009 Å
• α: 84.952 ± 0.001°
• β: 84.505 ± 0.001°
• γ: 65.275 ± 0.001°
• Cell volume: 1073.64 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.037
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No