Information card for entry 7226823

Structure parameters

• Formula: C9 H6 Cl N7 Zn
• Calculated formula: C9 H6 Cl N7 Zn
• 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: 11.1871 ± 0.001 Å
• b: 10.6211 ± 0.0009 Å
• c: 9.5987 ± 0.0008 Å
• α: 90°
• β: 94.301 ± 0.002°
• γ: 90°
• Cell volume: 1137.3 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0355
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No