Information card for entry 7720920

Structure parameters

• Formula: C9 H9 Br Cd Cl3 N O
• Calculated formula: C9 H9 Br Cd Cl3 N O
• Title of publication: Dual-tuning birefringence in hybrid crystals <i>via</i> Cd/Zn metal center and organic ligand isomerism.
• Authors of publication: Shen, Yaoguo; Wang, Xinyi; Wu, Mengqing; Yang, Yiman; Yan, Lingxin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• a: 7.8674 ± 0.0004 Å
• b: 22.0685 ± 0.0012 Å
• c: 7.5146 ± 0.0004 Å
• α: 90°
• β: 98.071 ± 0.005°
• γ: 90°
• Cell volume: 1291.77 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No