Information card for entry 7053994

Structure parameters

• Common name: [CuL3](ClO4)2
• Formula: C32 H44 Cl2 Cu N8 O14
• Calculated formula: C32 H44 Cl2 Cu N8 O14
• SMILES: C1COCC[O]2[Cu]3456[n]7c(cn(n7)c7ccc(cc7)OC)C[N]4(CCOCC[O]6CC[N]15Cc1cn(n[n]31)c1ccc(OC)cc1)CC2.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: 9.383 ± 0.005 Å
• b: 10.299 ± 0.008 Å
• c: 11.3 ± 0.009 Å
• α: 70.19 ± 0.04°
• β: 66.08 ± 0.03°
• γ: 73.3 ± 0.05°
• Cell volume: 924.7 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0385
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No