Information card for entry 7704603

Structure parameters

• Formula: C27 H24 N8 S
• Calculated formula: C27 H24 N8 S
• Title of publication: Copper(ii) and zinc(ii) complexes of mono- and bis-1,2,3-triazole-substituted heterocyclic ligands.
• Authors of publication: Pantalon Juraj, Natalija; Krklec, Marko; Novosel, Tiana; Perić, Berislav; Vianello, Robert; Raić-Malić, Silvana; Kirin, Srećko I
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 26
• Pages of publication: 9002 - 9015
• a: 41.5083 ± 0.0004 Å
• b: 41.5083 ± 0.0004 Å
• c: 5.5816 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9616.8 ± 0.2 ų
• Cell temperature: 129 ± 7 K
• Ambient diffraction temperature: 129 ± 7 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No