Information card for entry 4318154

Structure parameters

• Formula: C38 H72 Cl2 N6 O10 S4 Zn2
• Calculated formula: C38 H72 Cl2 N6 O10 S4 Zn2
• Title of publication: Synthesis and Characterization of Mononuclear Zinc Aryloxide Complexes Supported by Nitrogen/Sulfur Ligands Possessing an Internal Hydrogen Bond Donor
• Authors of publication: Dewain K. Garner; Russell A. Allred; Kyle J. Tubbs; Atta M. Arif; Lisa M. Berreau
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3533 - 3541
• a: 11.7702 ± 0.0002 Å
• b: 13.2136 ± 0.0003 Å
• c: 16.5033 ± 0.0004 Å
• α: 90°
• β: 95.001 ± 0.0008°
• γ: 90°
• Cell volume: 2556.93 ± 0.1 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 7
• 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: 0.0887
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No