Information card for entry 4339360

Structure parameters

• Common name: CdI2(PEA)4
• Chemical name: CdI2(PEA)4
• Formula: C32 H44 Cd I2 N4
• Calculated formula: C32 H44 Cd I2 N4
• SMILES: C([NH2][Cd](I)(I)([NH2]CCc1ccccc1)([NH2]CCc1ccccc1)[NH2]CCc1ccccc1)Cc1ccccc1
• 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: 31.4243 ± 0.0019 Å
• b: 12.4831 ± 0.0007 Å
• c: 8.9912 ± 0.0006 Å
• α: 90°
• β: 96.043 ± 0.001°
• γ: 90°
• Cell volume: 3507.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0499
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No