Information card for entry 1559897

Structure parameters

• Chemical name: N2-(4,6-diamino-1,3,5-triazin-2-yl) -N2-phenyl-1,3,5-triazine-2,4,6-triamine dimethyl sulfoxide solvate
• Formula: C18 H31 N11 O3 S3
• Calculated formula: C18 H31 N11 O3 S3
• 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: 10.9174 ± 0.0004 Å
• b: 18.9758 ± 0.0008 Å
• c: 13.2699 ± 0.0005 Å
• α: 90°
• β: 93.486 ± 0.002°
• γ: 90°
• Cell volume: 2743.99 ± 0.18 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No