Information card for entry 2008737

Structure parameters

• Chemical name: Copper(I) complex of 4-amino-5-oxo-3-thioxo-6-methyl-2,3,4,5-tetra-hydro- 1,2,4-triazine
• Formula: C8 H12 Cl Cu N8 O2 S2
• Calculated formula: C8 H12 Cl Cu N8 O2 S2
• Title of publication: A copper(I) complex of 4-amino-3-thioxo-6-methyl-2,3,4,5-tetrahydro-1,2,4-triazin-5-one
• Authors of publication: Razak, Ibrahim Abdul; Chinnakali, Kandasamy; Fun, Hoong-Kun; Yang, Ping; Zeng, Wen-Ru; Xie, Fu-Xin; Tian, Yu-Peng; Zhang, Hao
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 1092 - 1093
• a: 12.8678 ± 0.0005 Å
• b: 11.4996 ± 0.0004 Å
• c: 10.0894 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1492.97 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.035
• 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