Information card for entry 4512299

Structure parameters

• Formula: C61 H54 I N8 Na O6
• Calculated formula: C61 H52 I N8 Na O6
• Title of publication: Ionic Cocrystals of Pharmaceutical Compounds: Sodium Complexes of Carbamazepine
• Authors of publication: Buist, Amanda R.; Kennedy, Alan R.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 12
• Pages of publication: 6508
• a: 27.3789 ± 0.0019 Å
• b: 6.8157 ± 0.0002 Å
• c: 20.8598 ± 0.0014 Å
• α: 90°
• β: 134.626 ± 0.012°
• γ: 90°
• Cell volume: 2770.4 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No