Information card for entry 4519326

Structure parameters

• Formula: C49 H34 Ca3 N4 O24
• Calculated formula: C49 H34 Ca3 N4 O24
• Title of publication: Photochromic Metal-Organic Framework for High-Resolution Inkless and Erasable Printing.
• Authors of publication: Li, Wen-Bin; Chen, Xiong-Hai; Chen, Jia-Zhe; Huang, Rong; Ye, Jia-Wen; Chen, Ling; Wang, Hai-Ping; Yang, Tao; Tang, Liu-Yan; Bai, Jie; Mo, Zong-Wen; Chen, Xiao-Ming
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2022
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 8458 - 8463
• a: 10.0392 ± 0.0001 Å
• b: 15.8473 ± 0.0002 Å
• c: 18.4586 ± 0.0002 Å
• α: 73.212 ± 0.001°
• β: 86.207 ± 0.001°
• γ: 72.155 ± 0.001°
• Cell volume: 2675.43 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0438
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.5478 Å
• Diffraction radiation type: CuKa
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No