Information card for entry 7121018

Structure parameters

• Common name: compound 1
• Formula: C29 H35 N3 O13 U
• Calculated formula: C29 H35 N3 O13 U
• Title of publication: Phase transition triggered aggregation-induced emission in a photoluminescent uranyl-organic framework.
• Authors of publication: Wang, Xia; Wang, Yanlong; Dai, Xing; Silver, Mark A.; Liu, Wei; Li, Yuxiang; Bai, Zhuanling; Gui, Daxiang; Chen, Lanhua; Diwu, Juan; Zhou, Ruhong; Chai, Zhifang; Wang, Shuao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 627 - 630
• a: 11.217 ± 0.002 Å
• b: 10.2614 ± 0.0018 Å
• c: 14.346 ± 0.003 Å
• α: 90°
• β: 97.541 ± 0.006°
• γ: 90°
• Cell volume: 1637 ± 0.5 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No