Information card for entry 1575398

Structure parameters

• Formula: C56 H34 Cd N6 O5
• Calculated formula: C57 H34 Cd N6 O5
• Title of publication: Regulating through-space charge transfer interactions in donor-acceptor MOFs for thermally activated delayed fluorescence and X-ray scintillators.
• Authors of publication: Yan, Xinyue; Song, Shi-Yu; Liang, Shicong; Liu, Kai-Kai; Liu, Xiao-Ting; Lu, Chao
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 36
• Pages of publication: 16770 - 16779
• a: 27.35 ± 0.0003 Å
• b: 11.0237 ± 0.0001 Å
• c: 29.4404 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8876.23 ± 0.16 ų
• Cell temperature: 298.68 ± 0.1 K
• Ambient diffraction temperature: 298.68 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No