Information card for entry 7700026

Structure parameters

• Formula: C113.76 H102.04 Cd3.31 N14.38 O23
• Calculated formula: C96 H52 Cd3.27 N8 O16
• Title of publication: Charge, adsorption, water stability and bandgap tuning of an anionic Cd(ii) porphyrinic metal-organic framework.
• Authors of publication: Li, Qi; Luo, Yanping; Ding, Yue; Wang, Yina; Wang, Yuxin; Du, Hongbin; Yuan, Rongxin; Bao, Jianchun; Fang, Min; Wu, Yong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 24
• Pages of publication: 8678 - 8692
• a: 7.0923 ± 0.0016 Å
• b: 26.431 ± 0.006 Å
• c: 30.165 ± 0.008 Å
• α: 90°
• β: 95.216 ± 0.003°
• γ: 90°
• Cell volume: 5631 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.172
• Residual factor for significantly intense reflections: 0.0923
• Weighted residual factors for significantly intense reflections: 0.2055
• Weighted residual factors for all reflections included in the refinement: 0.2488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No