Information card for entry 7250059

Structure parameters

• Formula: C36 H33 Cl F4 I2 N4 O6
• Calculated formula: C36 H33 Cl F4 I2 N4 O6
• Title of publication: Facts and reality of multi-component organic ionic-cocrystals of di-topic acid–base conjugates
• Authors of publication: Singh, Abhay Pratap; Baruah, Jubaraj B.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 12
• Pages of publication: 1701 - 1706
• a: 13.111 ± 0.006 Å
• b: 15.861 ± 0.008 Å
• c: 18.599 ± 0.009 Å
• α: 90°
• β: 90.667 ± 0.014°
• γ: 90°
• Cell volume: 3867 ± 3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• 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: 0.0543
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No