Information card for entry 7245925

Structure parameters

• Formula: C64 H46 Cd3 N12 O14
• Calculated formula: C64 H46 Cd3 N12 O14
• Title of publication: Acid-directed synthesis of three Cd-based metal–organic frameworks with luminescence and catalytic CO2 transformation properties
• Authors of publication: Zhang, Zhen-Wei; Hu, Hui; Wang, Ming-Zhen; Zhang, Qing; Zhou, Wen-Feng; Zhang, Yan-Kai; Yang, Xin-Yi; Liu, Xue-Ying; Zhang, Yong-Zheng; Geng, Longlong; Liu, Zhong-Min; Zhang, Da-Shuai; Zhuang, Shujuan; Wei, Rong-Min; Zhang, Xiuling
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 12.933 ± 0.002 Å
• b: 13.25 ± 0.002 Å
• c: 13.77 ± 0.002 Å
• α: 78.372 ± 0.003°
• β: 63.205 ± 0.003°
• γ: 73.101 ± 0.003°
• Cell volume: 2008.5 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No