Information card for entry 4345511

Structure parameters

• Formula: C60 Cd4 N36 P4
• Calculated formula: C60 Cd4 N36 P4
• Title of publication: Switchable Nonlinear Optical and Tunable Luminescent Properties Triggered by Multiple Phase Transitions in a Perovskite-Like Compound.
• Authors of publication: Zhou, Lin; Zheng, Xuan; Shi, Ping-Ping; Zafar, Zainab; Ye, Heng-Yun; Fu, Da-Wei; Ye, Qiong
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 3238 - 3244
• a: 17.25 ± 0.04 Å
• b: 17.57 ± 0.04 Å
• c: 16.79 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5089 ± 19 ų
• Cell temperature: 397 ± 2 K
• Ambient diffraction temperature: 397 ± 2 K
• Number of distinct elements: 4
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.294
• Residual factor for significantly intense reflections: 0.2197
• Weighted residual factors for significantly intense reflections: 0.433
• Weighted residual factors for all reflections included in the refinement: 0.4725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No