Information card for entry 7127633

Structure parameters

• Formula: C90 H78 Cd3 N6 O14
• Calculated formula: C90 H78 Cd3 N6 O14
• Title of publication: Tuning the configuration of the flexible metal-alkene-framework affords pure cycloisomers in solid state photodimerization.
• Authors of publication: Wang, Yong; Wang, Meng-Fan; Young, David James; Zhu, Hua; Hu, Fei-Long; Mi, Yan; Qin, Zhen; Chen, Shu Li; Lang, Jian-Ping
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 9
• Pages of publication: 1129 - 1132
• a: 11.308 ± 0.005 Å
• b: 20.365 ± 0.008 Å
• c: 20.908 ± 0.009 Å
• α: 110.484 ± 0.005°
• β: 100.264 ± 0.006°
• γ: 96.098 ± 0.006°
• Cell volume: 4363 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0638
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No