Information card for entry 7205464

Structure parameters

• Formula: C18 H20 Br2 Cd N6
• Calculated formula: C18 H20 Br2 Cd N6
• 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: 10.2326 ± 0.0011 Å
• b: 12.402 ± 0.0017 Å
• c: 16.713 ± 0.002 Å
• α: 90°
• β: 91.978 ± 0.001°
• γ: 90°
• Cell volume: 2119.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No