Information card for entry 7129650

Structure parameters

• Formula: C36 H24 Cd Cl2 N2 O4
• Calculated formula: C36 H24 Cd Cl2 N2 O4
• Title of publication: Tunable photosalient behaviours within coordination polymers via functional molecular prearrangements
• Authors of publication: Wu, Jia-Wei; Long, Bing-Fan; Wang, Meng-Fan; Young, David James; Hu, Fei-Long; Mi, Yan; Lang, Jian-Ping
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 17.3731 ± 0.0016 Å
• b: 11.8564 ± 0.0012 Å
• c: 32.707 ± 0.004 Å
• α: 90°
• β: 97.366 ± 0.008°
• γ: 90°
• Cell volume: 6681.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/c 1
• Hall space group symbol: -I 2yc
• Residual factor for all reflections: 0.0983
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No