Information card for entry 1559896

Structure parameters

• Chemical name: N2,N2',N2''-(2,4,6-trimethylbenzene-1,3,5-triyl) tris[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] unknown solvate
• Formula: C27 H33 N33
• Calculated formula: C27 H33 N33
• Title of publication: Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams
• Authors of publication: Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.
• Journal of publication: Chemistry-A European Journal
• Year of publication: 2020
• Journal volume: 26
• Journal issue: 31
• Pages of publication: 7026 - 7040
• a: 27.827 ± 0.0011 Å
• b: 27.827 ± 0.0011 Å
• c: 21.2262 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14234.3 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.1187
• Residual factor for significantly intense reflections: 0.0927
• Weighted residual factors for significantly intense reflections: 0.2953
• Weighted residual factors for all reflections included in the refinement: 0.3123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No