Information card for entry 7250058

Structure parameters

• Formula: C38 H38 Cl F2 I N5 O12
• Calculated formula: C38 H38 Cl F2 I N5 O12
• 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: 8.8096 ± 0.0005 Å
• b: 11.2696 ± 0.0006 Å
• c: 21.1324 ± 0.0012 Å
• α: 85.724 ± 0.002°
• β: 81.896 ± 0.002°
• γ: 72.086 ± 0.002°
• Cell volume: 1975.3 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No