Information card for entry 7053998

Structure parameters

• Common name: [CuL5(MeCN)](ClO4)2
• Formula: C26 H33 Cl2 Cu N9 O8
• Calculated formula: C26 H33 Cl2 Cu N9 O8
• SMILES: [Cu]123([n]4nn(cc4C[N]1(CC[N]3(Cc1[n]2nn(c1)Cc1ccccc1)C)C)Cc1ccccc1)[N]#CC.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: 10.573 ± 0.004 Å
• b: 10.596 ± 0.004 Å
• c: 16.788 ± 0.005 Å
• α: 73.602 ± 0.004°
• β: 79.087 ± 0.005°
• γ: 60.693 ± 0.003°
• Cell volume: 1570.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0439
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No