Information card for entry 7053999

Structure parameters

• Common name: [CuL6(ClO4)](ClO4)
• Formula: C25 H32 Cl2 Cu N8 O8
• Calculated formula: C25 H32 Cl2 Cu N8 O8
• SMILES: C1C[N]2(C)Cc3cn(n[n]3[Cu]32(OCl(=O)(=O)=O)[n]2c(C[N]3(C1)C)cn(n2)Cc1ccccc1)Cc1ccccc1.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: 14.8356 ± 0.0004 Å
• b: 25.4907 ± 0.0006 Å
• c: 8.1556 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3084.2 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No