Information card for entry 4514004

Structure parameters

• Formula: C46 H20 Cd N12 O8
• Calculated formula: C46 H20 Cd N12 O8
• Title of publication: Host-Guest Engineering of Coordination Polymers for Highly Tunable Luminophores Based on Charge Transfer Emissions.
• Authors of publication: Zhao, Bei; Li, Na; Wang, Xi; Chang, Ze; Bu, Xian-He
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2017
• a: 28.5887 ± 0.0014 Å
• b: 11.054 ± 0.0005 Å
• c: 13.9384 ± 0.0007 Å
• α: 90°
• β: 110.016 ± 0.001°
• γ: 90°
• Cell volume: 4138.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.06
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.312
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No