Information card for entry 7053995

Structure parameters

• Common name: [CuL4](ClO4)2, DMF
• Formula: C33 H45 Cl4 Cu N9 O13
• Calculated formula: C33 H45 Cl4 Cu N9 O13
• 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: 26.3848 ± 0.0004 Å
• b: 18.7279 ± 0.0003 Å
• c: 27.6457 ± 0.0006 Å
• α: 90°
• β: 143.259 ± 0.001°
• γ: 90°
• Cell volume: 8171.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No