Information card for entry 4003465

Structure parameters

• Formula: C29 H19 Cd N7 O2
• Calculated formula: C29 H19 Cd N7 O2
• Title of publication: Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework
• Authors of publication: Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• a: 10.4358 ± 0.0009 Å
• b: 17.5707 ± 0.001 Å
• c: 13.982 ± 0.002 Å
• α: 90°
• β: 105.29 ± 0.011°
• γ: 90°
• Cell volume: 2473.1 ± 0.5 ų
• Cell temperature: 400 ± 2 K
• Ambient diffraction temperature: 400 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.3685
• Residual factor for significantly intense reflections: 0.2924
• Weighted residual factors for significantly intense reflections: 0.5321
• Weighted residual factors for all reflections included in the refinement: 0.5814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No