Information card for entry 4334269

Structure parameters

• Formula: C8.5 H7 N0.5 O3 S0.5 Zn0.5
• Calculated formula: C8.5 H7 N0.5 O3 S0.5 Zn0.5
• 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: 22.033 ± 0.008 Å
• b: 12.691 ± 0.005 Å
• c: 9.603 ± 0.004 Å
• α: 90°
• β: 97.492 ± 0.005°
• γ: 90°
• Cell volume: 2662.3 ± 1.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1886
• Weighted residual factors for all reflections included in the refinement: 0.2048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No