Information card for entry 7211027

Structure parameters

• Formula: C8 H20 Cl4 O14 Zn
• Calculated formula: C8 H20 Cl4 O14 Zn
• SMILES: c1(c(Cl)c(c(c(c1C(=O)[O-])Cl)Cl)C(=O)[O-])Cl.[OH2][Zn]([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O
• Title of publication: Alkali-metal-regulated construction of superhydrophilic ZnII and CdII coordination polymers with perhalogenated terephthalate ligands
• Authors of publication: Chen, Sheng-Chun; Zhang, Zhi-Hui; Huang, Kun-Lin; Luo, Hai-Kun; He, Ming-Yang; Du, Miao; Chen, Qun
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9613
• a: 5.349 ± 0.002 Å
• b: 12.309 ± 0.006 Å
• c: 15.159 ± 0.006 Å
• α: 90°
• β: 95.851 ± 0.009°
• γ: 90°
• Cell volume: 992.9 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.1716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No