Information card for entry 4514005

Structure parameters

• Formula: C74 H52 Cd2 N12 O8
• Calculated formula: C74 H52 Cd2 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: 11.309 ± 0.002 Å
• b: 19.897 ± 0.004 Å
• c: 26.934 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6061 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No