Information card for entry 7244359

Structure parameters

• Formula: C44 H38 Cl4 N4
• Calculated formula: C44 H38 Cl4 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: 15.4025 ± 0.0009 Å
• b: 5.8486 ± 0.0003 Å
• c: 22.1487 ± 0.0013 Å
• α: 90°
• β: 109.329 ± 0.002°
• γ: 90°
• Cell volume: 1882.76 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0812
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No