Information card for entry 2102064

Structure parameters

• Common name: dipotassium terephthalate
• Formula: C8 H4 K2 O4
• Calculated formula: C8 H4 K2 O4
• SMILES: c1(ccc(cc1)C(=O)[O-])C(=O)[O-].[K+].[K+]
• Title of publication: Terephthalate salts: salts of monopositive cations
• Authors of publication: Kaduk, James A.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 474 - 485
• a: 10.561 ± 0.004 Å
• b: 3.944 ± 0.0012 Å
• c: 11.535 ± 0.005 Å
• α: 90°
• β: 113.08 ± 0.03°
• γ: 90°
• Cell volume: 442 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No