Information card for entry 7205271

Structure parameters

• Formula: C23 H19 N6 O10 S Zn2.5
• Calculated formula: C23 H19 N6 O10 S Zn2.5
• Title of publication: Metal‒organic frameworks based on transition-metal carboxylate clusters as secondary building units: synthesis, structures and properties
• Authors of publication: Zhao, Li-Min; Zhang, Zhen-Jie; Zhang, Shi-Yuan; Cui, Ping; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 907
• a: 10.7882 ± 0.0013 Å
• b: 12.3072 ± 0.0012 Å
• c: 14.2893 ± 0.0014 Å
• α: 83.183 ± 0.007°
• β: 69.59 ± 0.007°
• γ: 65.174 ± 0.008°
• Cell volume: 1612.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0957
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.2159
• Weighted residual factors for all reflections included in the refinement: 0.2274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No