Information card for entry 7118334

Structure parameters

• Formula: C44 H33 I N12 O7.5 S2 Zn2
• Calculated formula: C44 H32 I N12 O7.5 S2 Zn2
• Title of publication: I2-induced SC-SC transformation within two-dimensional Zn(ii)-triazole framework: an ideal detector of cyano-containing molecules.
• Authors of publication: Wang, Ying; Yi, Jin-Min; Zhang, Meng-Yuan; Xu, Ping; Zhao, Xiao-Jun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 15
• Pages of publication: 3099 - 3102
• a: 8.94 ± 0.002 Å
• b: 15.624 ± 0.004 Å
• c: 18.684 ± 0.006 Å
• α: 65.286 ± 0.003°
• β: 84.924 ± 0.005°
• γ: 74.295 ± 0.004°
• Cell volume: 2281.3 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1184
• Residual factor for significantly intense reflections: 0.1091
• Weighted residual factors for significantly intense reflections: 0.4248
• Weighted residual factors for all reflections included in the refinement: 0.4389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No