Information card for entry 7244356

Structure parameters

• Formula: C28 H18 I4 N4
• Calculated formula: C28 H18 I4 N4
• SMILES: Ic1ccc(C(=N/N=C/C=N/N=C(c2ccc(I)cc2)c2ccc(I)cc2)c2ccc(I)cc2)cc1
• 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: 22.6222 ± 0.0016 Å
• b: 5.514 ± 0.0004 Å
• c: 23.3117 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2907.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No