Information card for entry 7208587

Structure parameters

• Formula: C19.5 H15 N2 O5 Zn
• Calculated formula: C19.5 H12 N2 O5 Zn
• Title of publication: Two solvent-dependent zinc(ii) supramolecular isomers: structure analysis, reversible and nonreversible crystal-to-crystal transformation, highly selective CO2 gas adsorption, and photoluminescence behaviors
• Authors of publication: Liu, Bo; Pang, Ling-Yan; Hou, Lei; Wang, Yao-Yu; Zhang, Yue; Shi, Qi-Zhen
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 19
• Pages of publication: 6246
• a: 12.8165 ± 0.0015 Å
• b: 8.8463 ± 0.001 Å
• c: 16.94 ± 0.002 Å
• α: 90°
• β: 102.31 ± 0.002°
• γ: 90°
• Cell volume: 1876.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No