Information card for entry 7702780

Structure parameters

• Formula: C18 H27 Cl Cu N6 O8
• Calculated formula: C18 H27 Cl Cu N6 O8
• Title of publication: Equilibrium and structural studies of complexes with a hexadentate ligand containing amide, amine and pyridyl nitrogen donors. Crystal structures of copper(ii), nickel(ii) and cobalt(iii) complexes
• Authors of publication: Jubert, Caroline; Mohamadou, Aminou; Gérard, Christian; Brandes, Stéphane; Tabard, Alain; Barbier, Jean-Pierre
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 13
• Pages of publication: 2660
• a: 7.4288 ± 0.0001 Å
• b: 20.6531 ± 0.0004 Å
• c: 30.1017 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4618.44 ± 0.14 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.103
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 1.699
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections: 40.905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No