Information card for entry 2311875

Structure parameters

• Chemical name: Bis(methanol-κO)bis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-\ triazolato-κ^2^<i>N</i>^1^,<i>N</i>^5^]zinc(II)
• Formula: C30 H30 N8 O2 Zn
• Calculated formula: C30 H30 N8 O2 Zn
• 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: 12.297 ± 0.003 Å
• b: 12.663 ± 0.003 Å
• c: 9.99 ± 0.002 Å
• α: 90°
• β: 111.58 ± 0.03°
• γ: 90°
• Cell volume: 1446.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No