Information card for entry 7205459

Structure parameters

• Formula: C28 H24 Cd2 I4 N12
• Calculated formula: C28 H24 Cd2 I4 N12
• SMILES: I[Cd]1(I)[n]2c3c(cccc3)n(n2)CCn2c3c(cccc3)[n](n2)[Cd](I)(I)[n]2c3c(cccc3)n(n2)CCn2c3c(cccc3)[n]1n2
• Title of publication: Solvothermal synthesis, crystal structures and photoluminescence properties of the novel Cd/X/α,ω-bis(benzotriazole)alkane hybrid family (X = Cl, Br and I)
• Authors of publication: Zhai, Quan-Guo; Gao, Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1602
• a: 14.4305 ± 0.0015 Å
• b: 9.9821 ± 0.0009 Å
• c: 25.489 ± 0.002 Å
• α: 90°
• β: 90.917 ± 0.001°
• γ: 90°
• Cell volume: 3671.1 ± 0.6 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: 0.1141
• Residual factor for significantly intense reflections: 0.0908
• Weighted residual factors for significantly intense reflections: 0.1886
• Weighted residual factors for all reflections included in the refinement: 0.2025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No