Information card for entry 8000458

Structure parameters

• Formula: C32 H32 Cl2 N6 O2
• Calculated formula: C32 H32 Cl2 N6 O2
• Title of publication: Crystal Engineering of a Hydrazone Molecule toward High Elasticity and Bright Luminescence
• Authors of publication: Liu, Bin; Liu, Hao; Zhang, Houyu; Di, Qi; Zhang, Hongyu
• Journal of publication: The Journal of Physical Chemistry Letters
• Year of publication: 2020
• Pages of publication: 9178 - 9183
• a: 11.3576 ± 0.001 Å
• b: 8.0121 ± 0.0006 Å
• c: 67.179 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6113.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.98 K
• Number of distinct elements: 5
• 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: 0.0839
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.246
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No