Information card for entry 7226826

Structure parameters

• Formula: C18 H16 Cd N14 O2
• Calculated formula: C18 H16 Cd N14 O2
• 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: 7.5563 ± 0.0008 Å
• b: 7.734 ± 0.0008 Å
• c: 9.5778 ± 0.0016 Å
• α: 99.045 ± 0.002°
• β: 98.024 ± 0.002°
• γ: 110.369 ± 0.002°
• Cell volume: 506.66 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0187
• Residual factor for significantly intense reflections: 0.0184
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.0477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No