Information card for entry 2204801

Structure parameters

• Chemical name: bis(dimethylammonium) terephtalate
• Formula: C12 H20 N2 O4
• Calculated formula: C12 H20 N2 O4
• SMILES: c1(C(=O)[O-])ccc(C(=O)[O-])cc1.C[NH2+]C.C[NH2+]C
• Title of publication: Bis(dimethylammonium) terephthalate
• Authors of publication: Karpova, Elena V.; Zakharov, Maxim A.; Gutnikov, Sergey I.; Alekseyev, Roman S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2491 - o2492
• a: 9.642 ± 0.002 Å
• b: 11.103 ± 0.002 Å
• c: 13.272 ± 0.003 Å
• α: 90°
• β: 91.01 ± 0.03°
• γ: 90°
• Cell volume: 1420.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.134
• 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: Yes