Information card for entry 4127789

Structure parameters

• Formula: C8 H13 Cd N3 O5
• Calculated formula: C8 H13 Cd N3 O5
• Title of publication: A Blue-Light-Emitting Cadmium Coordination Polymer with 75.4% Photoluminescence Quantum Yield.
• Authors of publication: do Nascimento Neto, José Antônio; Valdo, Ana Karoline Silva Mendanha; da Silva, Cameron Capeletti; Guimarães, Freddy Fernandes; Queiroz Júnior, Luiz Henrique Keng; Maia, Lauro June Queiroz; de Santana, Ricardo Costa; Martins, Felipe Terra
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 8
• Pages of publication: 3400 - 3403
• a: 7.566 ± 0.0004 Å
• b: 21.7993 ± 0.0011 Å
• c: 8.4539 ± 0.0004 Å
• α: 90°
• β: 117.515 ± 0.002°
• γ: 90°
• Cell volume: 1236.62 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0301
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No