Information card for entry 7033012

Structure parameters

• Formula: C8 H12 N8 O8 S Zn2
• Calculated formula: C8 H12 N8 O8 S Zn2
• Title of publication: Structural diversity of five new bitriazole-based complexes: luminescence, sorption, and magnetic properties.
• Authors of publication: Du, Li-Yun; Wang, Hui; Liu, Ge; Xie, Dong; Guo, Fu-Sheng; Hou, Lei; Wang, Yao-Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 3
• Pages of publication: 1110 - 1119
• a: 9.902 ± 0.002 Å
• b: 11.171 ± 0.002 Å
• c: 14.512 ± 0.003 Å
• α: 90°
• β: 100.402 ± 0.004°
• γ: 90°
• Cell volume: 1578.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0276
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No