Information card for entry 7211205

Structure parameters

• Formula: C22 H15 Cl N3 O5 Zn
• Calculated formula: C22 H15 Cl N3 O5 Zn
• Title of publication: A stimuli-responsive zinc-based chain framework constructed via metal‒ligand directed assembly
• Authors of publication: Fan, Mengchan; Yao, Zhenguo; Li, Chen; Xia, Yu; Zhang, Qi; Dai, Jingcao; Fu, Zhiyong
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 42
• Pages of publication: 8408
• a: 9.45 ± 0.0019 Å
• b: 19.88 ± 0.004 Å
• c: 13.513 ± 0.004 Å
• α: 90°
• β: 127.38 ± 0.019°
• γ: 90°
• Cell volume: 2017.3 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0343
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No