Information card for entry 8104777

Structure parameters

• Formula: C16 H14 Cl2 N2 O2
• Calculated formula: C16 H14 Cl2 N2 O2
• Title of publication: Crystal structure of 2,2′-[ethane-1,2-diylbis(azanylylidenemethylylidene)]bis(6-chlorophenol), C16H14Cl2N2O2
• Authors of publication: Li, Weili; Yang, Bo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 3
• Pages of publication: 599 - 600
• a: 6.8492 ± 0.0014 Å
• b: 11.515 ± 0.002 Å
• c: 10.018 ± 0.002 Å
• α: 90°
• β: 107.11 ± 0.03°
• γ: 90°
• Cell volume: 755.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0877
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No