Information card for entry 7711465

Structure parameters

• Formula: C74 H100 N14 O29 Zn4
• Calculated formula: C50 H44 N6 O21 Zn4
• Title of publication: Two novel zinc-based MOFs as luminescence sensors to detect phenylglyoxylic acid
• Authors of publication: Song, Dongxue; Ji, Xiaoxi; Li, Yong; Wu, Shuangyan; Zhang, Ying; Wang, Xiaofeng; Sun, Yaguang; Gao, Enjun; Zhu, Mingchang
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 18.4312 ± 0.0003 Å
• b: 21.5199 ± 0.0003 Å
• c: 25.8251 ± 0.0005 Å
• α: 90°
• β: 109.529 ± 0.002°
• γ: 90°
• Cell volume: 9653.9 ± 0.3 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1135
• Residual factor for significantly intense reflections: 0.0968
• Weighted residual factors for significantly intense reflections: 0.2632
• Weighted residual factors for all reflections included in the refinement: 0.2798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No