Information card for entry 7244357

Structure parameters

• Formula: C44 H38 I4 N4
• Calculated formula: C44 H38 I4 N4
• Title of publication: Selective inclusion of p-xylene by bis-hydrazone compounds
• Authors of publication: Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu
• Journal of publication: CrystEngComm
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 6
• Pages of publication: 1161 - 1165
• a: 5.9329 ± 0.0003 Å
• b: 23.0822 ± 0.0012 Å
• c: 30.2786 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4146.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No