Information card for entry 7129647

Structure parameters

• Formula: C38 H32.5 Cd Cl2 N2.5 O5
• Calculated formula: C38 H33.5 Cd Cl2 N2.5 O5
• 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: 9.228 ± 0.006 Å
• b: 12.711 ± 0.009 Å
• c: 16.916 ± 0.011 Å
• α: 71.172 ± 0.007°
• β: 76.036 ± 0.008°
• γ: 78.145 ± 0.008°
• Cell volume: 1805 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No