Information card for entry 2217877

Structure parameters

• Chemical name: Dichloridobis[3-methyl-4-phenyl-5-(2-pyridyl)-4H-1,2,4-triazole- κ^2^<i>N</i>^1^,<i>N</i>^5^]copper(II) 3.33-hydrate
• Formula: C28 H30.66 Cl2 Cu N8 O3.33
• Calculated formula: C28 H30.6692 Cl2 Cu N8 O3.33333
• Title of publication: Dichloridobis[3-methyl-4-phenyl-5-(2-pyridyl)-4<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^]copper(II) 3.33-hydrate
• Authors of publication: Wang, Zuoxiang; Lan, Yan; Wu, Pingfeng; Huang, Liaocheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: m593 - m594
• a: 21.5496 ± 0.0013 Å
• b: 21.5496 ± 0.0013 Å
• c: 17.619 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7085.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes