Information card for entry 2311876

Structure parameters

• Chemical name: Diiodidobis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-\ triazole-κ^2^<i>N</i>^3^,<i>N</i>^4^]cadmium(II)
• Formula: C28 H24 Cd I2 N8
• Calculated formula: C28 H24 Cd I2 N8
• SMILES: c1(n[nH]c(c2ccc(C)cc2)n1)c1cccc[n]1[Cd](I)([n]1c(cccc1)c1nc(c2ccc(C)cc2)[nH]n1)I
• Title of publication: Synthesis, crystal structures and luminescence properties of seven mononuclear zinc(II), cadmium(II), cobalt(II) and nickel(II) complexes with 5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole.
• Authors of publication: Liu, Feng Yi; Zhou, Dong Mei; Zhao, Xiao Lan; Kou, Jun Feng
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 5
• Pages of publication: 382 - 392
• a: 18.848 ± 0.004 Å
• b: 11.254 ± 0.002 Å
• c: 15.707 ± 0.003 Å
• α: 90°
• β: 119.44 ± 0.03°
• γ: 90°
• Cell volume: 2901.5 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0415
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No