Information card for entry 7054001

Structure parameters

• Formula: C30 H46 Cl2 N8 O14
• Calculated formula: C30 H46 Cl2 N8 O14
• 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: 10.9 ± 0.004 Å
• b: 11.582 ± 0.003 Å
• c: 16.395 ± 0.003 Å
• α: 71.824 ± 0.011°
• β: 79.864 ± 0.015°
• γ: 68.647 ± 0.012°
• Cell volume: 1826.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0968
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1638
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No