Information card for entry 8101994

Structure parameters

• Chemical name: tetrakis(melaminium) 1,2,4,5-benzenetetracarboxylate octahydrate
• Formula: C22 H46 N24 O16
• Calculated formula: C22 H46 N24 O16
• Title of publication: Crystal structure of tetrakis(melaminium) 1,2,4,5-benzenetetracarboxylate octahydrate, (C~3~H~7~N~6~)~4~[C~6~H~2~(COO)~4~] · 8H~2~O
• Authors of publication: Du, Z.-X.; Han, M.-L.; Feng, X.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 3
• Pages of publication: 313 - 315
• a: 7.0706 ± 0.0006 Å
• b: 9.7952 ± 0.0008 Å
• c: 14.7895 ± 0.0012 Å
• α: 105.879 ± 0.001°
• β: 91.608 ± 0.001°
• γ: 96.254 ± 0.001°
• Cell volume: 977.55 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No