Information card for entry 7053993

Structure parameters

• Common name: [CuL2](ClO4)2
• Formula: C30 H40 Cl2 Cu N8 O12
• Calculated formula: C30 H40 Cl2 Cu N8 O12
• SMILES: C1COCC[O]2CC[N]34CCOCC[O]5CC[N]61Cc1cn(n[n]1[Cu]2456[n]1c(C3)cn(n1)c1ccccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Click synthesis of symmetric bis-triazol ligands and full characterisation of their copper(ii)-complexes
• Authors of publication: Benkhellat, Zakia; Allali, Mustapha; Beley, Marc; Wenger, Emmanuel; Bernard, Maxime; Parizel, Nathalie; Selmeczi, Katalin; Joly, Jean-Pierre
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 1
• Pages of publication: 419
• a: 9.39 ± 0.005 Å
• b: 10.293 ± 0.005 Å
• c: 10.426 ± 0.005 Å
• α: 101.979 ± 0.004°
• β: 108.296 ± 0.005°
• γ: 106.798 ± 0.005°
• Cell volume: 865.2 ± 0.8 ų
• Cell temperature: 110 ± 0.1 K
• Ambient diffraction temperature: 110 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No