Information card for entry 7127631

Structure parameters

• Formula: C99 H69 Cd3 N15 O24.75
• Calculated formula: C99 H69 Cd3 N15 O24.75
• 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: 41.888 ± 0.016 Å
• b: 13.237 ± 0.005 Å
• c: 37.521 ± 0.013 Å
• α: 90°
• β: 102.236 ± 0.013°
• γ: 90°
• Cell volume: 20332 ± 13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No