Information card for entry 7135041

Structure parameters

• Formula: C8 H20 Cd3 Cl7 N
• Calculated formula: C8 H20 Cd3 Cl7 N
• Title of publication: A five- and six-coordinated two-dimensional metal halide organic-inorganic phase transition material.
• Authors of publication: Chen, Hui-Ping; Wang, Zhen-Yu; Qi, Jun-Chao; Peng, Hang; Yang, Tian-En; Zhang, Xiao-Xuan; Luo, Xin-Yu; Liao, Wei-Qiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 85
• Pages of publication: 16636 - 16639
• a: 7.818 ± 0.0003 Å
• b: 11.1147 ± 0.0003 Å
• c: 13.4404 ± 0.0002 Å
• α: 66.714 ± 0.002°
• β: 82.325 ± 0.002°
• γ: 70.712 ± 0.003°
• Cell volume: 1012.55 ± 0.06 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No