Information card for entry 1500004

Structure parameters

• Formula: C5 H5 Cd Cl3 N4
• Calculated formula: C5 H5 Cd Cl3 N4
• Title of publication: Chlorocadmate(II) salts of two 1,2,4-triazolo[1,5-a]pyrimidine derivatives
• Authors of publication: Carmen R. Maldonado; Miguel Quirós; Juan M. Salas
• Journal of publication: Journal of Molecular Structure
• Year of publication: 2008
• Journal volume: 882
• Pages of publication: 30 - 34
• a: 11.7543 ± 0.0007 Å
• b: 12.6823 ± 0.0007 Å
• c: 6.6836 ± 0.0004 Å
• α: 90°
• β: 96.71 ± 0.001°
• γ: 90°
• Cell volume: 989.51 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0229
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No