Information card for entry 7243971

Structure parameters

• Formula: C26 H21 Cd0.5 Cl N3 O2
• Calculated formula: C26 H21 Cd0.5 Cl N3 O2
• Title of publication: A triphenylamine derivative and its Cd(ii) complex with high-contrast mechanochromic luminescence and vapochromism
• Authors of publication: Liang, Qiong-Fang; Zheng, Han-Wen; Yang, Dong-Dong; Zheng, Xiang-Jun
• Journal of publication: CrystEngComm
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 3
• Pages of publication: 543 - 551
• a: 7.2058 ± 0.0002 Å
• b: 7.774 ± 0.0003 Å
• c: 20.4876 ± 0.0007 Å
• α: 86.501 ± 0.003°
• β: 89.897 ± 0.003°
• γ: 83.117 ± 0.003°
• Cell volume: 1137.26 ± 0.07 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No