Information card for entry 4118072

Structure parameters

• Formula: C10 H6.5 N1.5 O3 Zn0.5
• Calculated formula: C10 H6.5 N1.5 O3 Zn0.5
• Title of publication: Dense Coordination Network Capable of Selective CO2 Capture from C1 and C2 Hydrocarbons
• Authors of publication: Satoshi Horike; Keisuke Kishida; Yoshihiro Watanabe; Yasutaka Inubushi; Daiki Umeyama; Masayuki Sugimoto; Tomohiro Fukushima; Munehiro Inukai; Susumu Kitagawa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 9852 - 9855
• a: 7.699 ± 0.003 Å
• b: 17.608 ± 0.008 Å
• c: 15.09 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2045.7 ± 1.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.1261
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1777
• Weighted residual factors for all reflections included in the refinement: 0.2109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No