Information card for entry 4316982

Structure parameters

• Formula: C272 Cl32 N48 O96 Zn16
• Calculated formula: C272 Cl32 N48 O96 Zn16
• Title of publication: Two-Step Adsorption on Jungle-Gym-Type Porous Coordination Polymers: Dependence on Hydrogen-Bonding Capability of Adsorbates, Ligand-Substituent Effect, and Temperature
• Authors of publication: Kazuhiro Uemura; Yukari Yamasaki; Fumiaki Onishi; Hidetoshi Kita; Masahiro Ebihara
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10133 - 10143
• a: 21.818 ± 0.003 Å
• b: 21.818 ± 0.003 Å
• c: 38.66 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18403 ± 5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.1284
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.2133
• Weighted residual factors for all reflections included in the refinement: 0.2415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No