Information card for entry 7720823

Structure parameters

• Formula: C12 H28 Cd I4 N2 O2
• Calculated formula: C12 H28 Cd I4 N2 O2
• 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, Lizhuang
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 13.548 ± 0.003 Å
• b: 10.083 ± 0.003 Å
• c: 17.418 ± 0.004 Å
• α: 90°
• β: 93.764 ± 0.013°
• γ: 90°
• Cell volume: 2374.2 ± 1 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: 0.0297
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No