Information card for entry 1559901

Structure parameters

• Chemical name: N2,N2'-(1,4-phenylene)bis[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] dimethyl sulfoxide unknown solvate
• Formula: C24 H38 N22 O3 S3
• Calculated formula: C24 H38 N22 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: 22.6297 ± 0.0005 Å
• b: 16.5486 ± 0.0004 Å
• c: 21.7786 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8155.9 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0855
• Weighted residual factors for significantly intense reflections: 0.2383
• Weighted residual factors for all reflections included in the refinement: 0.2397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No