Information card for entry 7702781

Structure parameters

• Formula: C18 H24 N6 Ni O3
• Calculated formula: C18 H24 N6 Ni O3
• 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: 10.1934 ± 0.0003 Å
• b: 12.1481 ± 0.0003 Å
• c: 15.4149 ± 0.0005 Å
• α: 90°
• β: 101.582 ± 0.005°
• γ: 90°
• Cell volume: 1869.97 ± 0.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• 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: 0.044
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.037
• Goodness-of-fit parameter for all reflections: 1.548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No