Information card for entry 4346645

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: 9.9411 ± 0.0003 Å
• b: 15.7636 ± 0.0004 Å
• c: 14.3626 ± 0.0005 Å
• α: 90°
• β: 111.548 ± 0.002°
• γ: 90°
• Cell volume: 2093.42 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0572
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No