Information card for entry 7702530

Structure parameters

• Formula: C18 H26 Cl2 N4 O8 S2 Zn
• Calculated formula: C18 H26 Cl2 N4 O8 S2 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: 13.5168 ± 0.0009 Å
• b: 9.8812 ± 0.0003 Å
• c: 19.824 ± 0.001 Å
• α: 90°
• β: 109.594 ± 0.005°
• γ: 90°
• Cell volume: 2494.4 ± 0.2 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 7
• 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: 0.122
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.246
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections: 6.763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No