Information card for entry 7226824

Structure parameters

• Formula: C9 H6 Cd2 Cl3 N7
• Calculated formula: C9 H6 Cd2 Cl3 N7
• Title of publication: Zn(II) and Cd(II) coordination networks based on N-donor ligand: synthesis, crystal structures, and sensing of nitroaromatic explosives
• Authors of publication: Du, Jian-Long; Li, Chao-Ping; Gao, Ju-Ping; Zhang, Xiao-Ying; Jing, Xu; Mu, Yajuan; Li, Li-Jun
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 6.8339 ± 0.0014 Å
• b: 7.4174 ± 0.0015 Å
• c: 14.147 ± 0.003 Å
• α: 90°
• β: 92.38 ± 0.03°
• γ: 90°
• Cell volume: 716.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0132
• Residual factor for significantly intense reflections: 0.0131
• Weighted residual factors for significantly intense reflections: 0.0307
• Weighted residual factors for all reflections included in the refinement: 0.0307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No