Information card for entry 7707924

Structure parameters

• Formula: C3 H3 Br Cs N3 O3
• Calculated formula: C3 H3 Br Cs N3 O3
• Title of publication: Co-crystal AX·(H₃C₃N₃O₃) (A = Na, Rb, Cs; X = Br, I): a series of strongly anisotropic alkali halide cyanurates with a planar structural motif and large birefringence.
• Authors of publication: Wang, Jinhui; Zhang, Xinyuan; Liang, Fei; Hu, Zhanggui; Wu, Yicheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 33
• Pages of publication: 11555 - 11561
• a: 6.863 ± 0.0007 Å
• b: 9.0765 ± 0.0008 Å
• c: 12.8352 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 799.53 ± 0.12 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 6
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No