Information card for entry 7125348

Structure parameters

• Formula: C14 H19 Cd Cl N9 P
• Calculated formula: C14 H19 Cd Cl 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: 10.7129 ± 0.0004 Å
• b: 12.186 ± 0.0005 Å
• c: 16.3333 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2132.27 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1489
• Residual factor for significantly intense reflections: 0.121
• Weighted residual factors for significantly intense reflections: 0.337
• Weighted residual factors for all reflections included in the refinement: 0.3542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.342
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No