Information card for entry 4334271

Structure parameters

• Formula: C22 H14 N O6 S Zn
• Calculated formula: C22 H14 N O6 S Zn
• Title of publication: Pore Design of Two-Dimensional Coordination Polymers toward Selective Adsorption
• Authors of publication: Yuh Hijikata; Satoshi Horike; Masayuki Sugimoto; Munehiro Inukai; Tomohiro Fukushima; Susumu Kitagawa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 3634 - 3642
• a: 8.0467 ± 0.0019 Å
• b: 12.063 ± 0.004 Å
• c: 13.016 ± 0.004 Å
• α: 86.066 ± 0.012°
• β: 72.39 ± 0.01°
• γ: 79.253 ± 0.011°
• Cell volume: 1183 ± 0.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0977
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1862
• Weighted residual factors for all reflections included in the refinement: 0.2147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No