Information card for entry 7702532

Structure parameters

• Formula: C18 H30 Cl2 N6 O9 Zn
• Calculated formula: C18 H28 Cl2 N6 O9 Zn
• Title of publication: Structural effects of potentially hexadentate N4O2, N4S2 or N6 ligands involving pyridine, amine and ether or thioether donors: crystal structure of copper(II) and zinc(II) complexes †
• Authors of publication: Jubert, Caroline; Mohamadou, Aminou; Marrot, Jérôme; Barbier, Jean-Pierre
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 8
• Pages of publication: 1230
• a: 10.5701 ± 0.0005 Å
• b: 15.8048 ± 0.0009 Å
• c: 15.2231 ± 0.0006 Å
• α: 90°
• β: 98.749 ± 0.005°
• γ: 90°
• Cell volume: 2513.6 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections: 0.363
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections: 7.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No