Information card for entry 7125351

Structure parameters

• Formula: C14 H18 Cd F N9 P
• Calculated formula: C14 H18 Cd F N9 P
• Title of publication: Halogen substitution effects on optical and electrical properties in 3D molecular perovskites.
• Authors of publication: Zhao, Meng-Meng; Zhou, Lin; Shi, Ping-Ping; Zheng, Xuan; Chen, Xiao-Gang; Gao, Ji-Xing; Geng, Fu-Juan; Ye, Qiong; Fu, Da-Wei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 94
• Pages of publication: 13275 - 13278
• a: 16.172 ± 0.002 Å
• b: 15.6943 ± 0.0017 Å
• c: 16.8867 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4286 ± 0.8 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 2 K
• Number of distinct elements: 6
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.2682
• Residual factor for significantly intense reflections: 0.147
• Weighted residual factors for significantly intense reflections: 0.3692
• Weighted residual factors for all reflections included in the refinement: 0.4619
• Goodness-of-fit parameter for all reflections included in the refinement: 0.884
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No