Information card for entry 7720821

Structure parameters

• Formula: C2.67 H6.22 Br0.89 Cd0.22 N0.44 O0.44
• Calculated formula: C2.66667 H6.22222 Br0.888889 Cd0.222222 N0.444444 O0.444444
• Title of publication: Organic-inorganic hybrid materials with high phase transition temperatures regulated by halogen substitution.
• Authors of publication: Zhu, Jie-Yu; Zhang, Cheng-Fang; Zhu, Runtian; Cao, Qing-Ling; Zhong, Wen-He; Zhao, Jia-Jia; Chen, Li-Zhuang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 6897 - 6903
• a: 13.1657 ± 0.0011 Å
• b: 9.8111 ± 0.0009 Å
• c: 16.6682 ± 0.0012 Å
• α: 90°
• β: 95.053 ± 0.005°
• γ: 90°
• Cell volume: 2144.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No