Information card for entry 7704602

Structure parameters

• Formula: C44 H56 Cu F6 N12 O6 S2 Si
• Calculated formula: C40 H40 Cu F6 N12 O2 S2 Si
• 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: 8.4563 ± 0.0008 Å
• b: 10.9214 ± 0.0012 Å
• c: 15.1689 ± 0.0018 Å
• α: 71.891 ± 0.01°
• β: 78.582 ± 0.009°
• γ: 71.33 ± 0.009°
• Cell volume: 1253.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No