Information card for entry 2210464

Structure parameters

• Chemical name: Tetramethylammonium hydrogen 4,5-dichlorophthalate
• Formula: C12 H15 Cl2 N O4
• Calculated formula: C12 H15 Cl2 N O4
• Title of publication: Tetramethylammonium hydrogen 4,5-dichlorophthalate
• Authors of publication: Bozkurt, Esat; Kartal, İbrahim; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4258 - o4260
• a: 10.28 ± 0.0006 Å
• b: 6.912 ± 0.0003 Å
• c: 19.0486 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1353.51 ± 0.12 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes