Information card for entry 7214404

Structure parameters

• Formula: C42 H27 Er N6 O6
• Calculated formula: C42 H27 Er N6 O6
• Title of publication: Construction of three pH-dependent luminescent metal‒organic frameworks with 3-(4-carboxyphen-yl)-1,3-benzoimidazole
• Authors of publication: Li, Teng; Hong, Xu-Jia; Liu, Xiang; Chen, Rong; Zhan, Qing-Guang; Xu, Xuan; Cai, Yue-Peng
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 19
• Pages of publication: 3883
• a: 15.355 ± 0.005 Å
• b: 6.908 ± 0.002 Å
• c: 32.838 ± 0.011 Å
• α: 90°
• β: 99.157 ± 0.005°
• γ: 90°
• Cell volume: 3438.8 ± 1.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.1102
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No