Information card for entry 7708484

Structure parameters

• Formula: C272 H256 Cd3 N48 O16 Sm2
• Calculated formula: C272 H256 Cd3 N48 O16 Sm2
• Title of publication: A sextuple-decker heteroleptic phthalocyanine heterometallic samarium‒cadmium complex with crystal structure and nonlinear optical properties in solution and gel glass
• Authors of publication: Liu, Chao; Yang, Wei; Wang, Jingjing; Ding, Xu; Ren, Huimin; Chen, Yuxiang; Xie, Zheng; Sun, Tingting; Jiang, Jianzhuang
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 19.3851 ± 0.0005 Å
• b: 19.3851 ± 0.0005 Å
• c: 32.649 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12268.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 118
• Hermann-Mauguin space group symbol: P -4 n 2
• Hall space group symbol: P -4 -2n
• Residual factor for all reflections: 0.127
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.183
• Weighted residual factors for all reflections included in the refinement: 0.2222
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No