Information card for entry 2240527

Structure parameters

• Chemical name: Clozapinium hydrogen maleate 0.21-hydrate
• Formula: C22 H23.42 Cl N4 O4.21
• Calculated formula: C22 H23.42 Cl N4 O4.21
• Title of publication: The crystal structures of three clozapinium salts: different molecular configurations, and supramolecular assembly in one, two and three dimensions
• Authors of publication: Kaur, Manpreet; Jasinski, Jerry P.; Yathirajan, Hemmige S.; Kavitha, Channappa N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 4
• Pages of publication: 406 - 413
• a: 9.7166 ± 0.0003 Å
• b: 9.9699 ± 0.0002 Å
• c: 23.1059 ± 0.0006 Å
• α: 90°
• β: 96.8 ± 0.003°
• γ: 90°
• Cell volume: 2222.6 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0565
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes