Information card for entry 2311878

Structure parameters

• Chemical name: Aquabis[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^]cobalt(II)
• Formula: C28 H24 Co N8 O
• Calculated formula: C28 H24 Co N8 O
• SMILES: c12cccc[n]1[Co]1([OH2])(n3c2nc(c2ccc(C)cc2)n3)n2c(c3cccc[n]13)nc(c1ccc(C)cc1)n2
• 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: 28.735 ± 0.006 Å
• b: 7.4617 ± 0.0015 Å
• c: 12.421 ± 0.003 Å
• α: 90°
• β: 111.79 ± 0.03°
• γ: 90°
• Cell volume: 2472.9 ± 1.1 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: 0.0355
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No