Information card for entry 7720822

Structure parameters

• Formula: C12 H28 Cd Cl4 N2 O2
• Calculated formula: C12 H28 Cd Cl4 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, 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: 8.3016 ± 0.0003 Å
• b: 10.5798 ± 0.0004 Å
• c: 12.1096 ± 0.0004 Å
• α: 89.598 ± 0.002°
• β: 79.447 ± 0.002°
• γ: 83.943 ± 0.002°
• Cell volume: 1039.67 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0308
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No