Information card for entry 7708326

Structure parameters

• Formula: C56 H28 Cd N9 O15
• Calculated formula: C56 H28 Cd N9 O15
• Title of publication: The modulation effect of carboxylic acid ligands on the electron transfer photochromism of naphthalene diimide-derived coordination polymers
• Authors of publication: Li, Gao-Peng; Zhu, Huihui; Hao, Pengfei; Shen, Junju; Fu, Yunlong
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 10.1715 ± 0.0007 Å
• b: 13.7543 ± 0.001 Å
• c: 18.1085 ± 0.0013 Å
• α: 87.319 ± 0.002°
• β: 84.683 ± 0.002°
• γ: 70.671 ± 0.002°
• Cell volume: 2380 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0476
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No