Information card for entry 4131666

Structure parameters

• Common name: ST-3
• Chemical name: ST-3
• Formula: C44 H26.67 N8 O13 Zn4
• Calculated formula: C44 H26.6667 N8 O13 Zn4
• Title of publication: Engineering of Pore Geometry for Ultrahigh Capacity Methane Storage in Mesoporous Metal-Organic Frameworks.
• Authors of publication: Liang, Cong-Cong; Shi, Zhao-Lin; He, Chun-Ting; Tan, Jing; Zhou, Hu-Die; Zhou, Hao-Long; Lee, Yongjin; Zhang, Yue-Biao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 38
• Pages of publication: 13300 - 13303
• a: 30.926 ± 0.004 Å
• b: 30.926 ± 0.004 Å
• c: 35.157 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 33625 ± 9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 112
• Hermann-Mauguin space group symbol: P -4 2 c
• Hall space group symbol: P -4 2c
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.82651 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No