Information card for entry 7129646

Structure parameters

• Formula: C36 H28 Cd Cl2 N2 O4
• Calculated formula: C36 H28 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: 37.7469 ± 0.0014 Å
• b: 13.0363 ± 0.0006 Å
• c: 15.4303 ± 0.0007 Å
• α: 90°
• β: 111.521 ± 0.004°
• γ: 90°
• Cell volume: 7063.6 ± 0.6 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: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No