Information card for entry 7048624

Structure parameters

• Formula: C3 H K2 N3 O3
• Calculated formula: C3 H K2 N3 O3
• Title of publication: A new ultraviolet transparent hydra-cyanurate K₂(C₃N₃O₃H) with strong optical anisotropy from delocalized π-bonds.
• Authors of publication: Wang, Naizheng; Liang, Fei; Yang, Yi; Zhang, Shengzi; Lin, Zheshuai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 7
• Pages of publication: 2271 - 2274
• a: 13.097 ± 0.0006 Å
• b: 6.6265 ± 0.0003 Å
• c: 6.8836 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 597.41 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No