Information card for entry 4001679

Structure parameters

• Formula: C144 H48 Co18 O160
• Calculated formula: C144 H48 Co18 O160.2
• Title of publication: New Porous Crystals of Extended Metal-Catecholates
• Authors of publication: Hmadeh, Mohamad; Lu, Zheng; Liu, Zheng; Gándara, Felipe; Furukawa, Hiroyasu; Wan, Shun; Augustyn, Veronica; Chang, Rui; Liao, Lei; Zhou, Fei; Perre, Emilie; Ozolins, Vidvuds; Suenaga, Kazu; Duan, Xiangfeng; Dunn, Bruce; Yamamto, Yasuaki; Terasaki, Osamu; Yaghi, Omar M.
• Journal of publication: Chemistry of Materials
• Year of publication: 2012
• Journal volume: 24
• Journal issue: 18
• Pages of publication: 3511
• a: 22.13 ± 0.003 Å
• b: 22.13 ± 0.003 Å
• c: 13.31 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5645.1 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.2048
• Weighted residual factors for all reflections included in the refinement: 0.2136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.92017 Å
• Diffraction radiation type: Synchrotronradiation
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No