Information card for entry 7210014

Structure parameters

• Formula: C12 H18 N18 O6
• Calculated formula: C12 H18 N18 O6
• Title of publication: The structure of the melamine‒cyanuric acid co-crystal
• Authors of publication: Prior, Timothy J.; Armstrong, Jennifer A.; Benoit, David M.; Marshall, Kayleigh L.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 29
• Pages of publication: 5838
• a: 14.8152 ± 0.0019 Å
• b: 9.6353 ± 0.0018 Å
• c: 7.0405 ± 0.0009 Å
• α: 90°
• β: 93.194 ± 0.011°
• γ: 90°
• Cell volume: 1003.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No