Information card for entry 4346644

Structure parameters

• Formula: C22 H17 N5 O5 Zn
• Calculated formula: C22 H17 N5 O5 Zn
• Title of publication: Effect of Solvent Molecule in Pore for Flexible Porous Coordination Polymer upon Gas Adsorption and Iodine Encapsulation.
• Authors of publication: Arıcı, Mürsel; Yeşilel, Okan Zafer; Taş, Murat; Demiral, Hakan
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 23
• Pages of publication: 11283 - 11291
• a: 14.2505 ± 0.0006 Å
• b: 8.1972 ± 0.0003 Å
• c: 18.9816 ± 0.0007 Å
• α: 90°
• β: 97.214 ± 0.002°
• γ: 90°
• Cell volume: 2199.77 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• 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: 0.0394
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No