Information card for entry 4339361

Structure parameters

• Common name: [CdI2(PEA)2](CdS)0.038
• Chemical name: [CdI2(PEA)2](CdS)0.038
• Formula: C16 H22 Cd I2 N2
• Calculated formula: C16 H22 Cd I2 N2
• SMILES: c1ccccc1CC[NH2][Cd](I)(I)[NH2]CCc1ccccc1
• Title of publication: Synthesis, structures, and optical properties of cadmium iodide/phenethylamine hybrid materials with controlled structures and emissions.
• Authors of publication: Wang, Wei; Qiao, Juan; Wang, Liduo; Duan, Lian; Zhang, Deqiang; Yang, Weitao; Qiu, Yong
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 24
• Pages of publication: 10252 - 10260
• a: 29.832 ± 0.003 Å
• b: 5.1368 ± 0.0005 Å
• c: 27.674 ± 0.003 Å
• α: 90°
• β: 111.035 ± 0.002°
• γ: 90°
• Cell volume: 3958.2 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No