Information card for entry 4318151

Structure parameters

• Formula: C23 H35 Cl N4 O7 S2 Zn
• Calculated formula: C23 H35 Cl N4 O7 S2 Zn
• SMILES: [Zn]123([S](C)CC[N]2(CC[S]1C)Cc1[n]3c(NCC(C)(C)C)ccc1)Oc1ccc(N(=O)=O)cc1.Cl(=O)(=O)(=O)[O-]
• 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: 15.8941 ± 0.0005 Å
• b: 9.3054 ± 0.0002 Å
• c: 19.8964 ± 0.0007 Å
• α: 90°
• β: 99.3345 ± 0.0012°
• γ: 90°
• Cell volume: 2903.73 ± 0.15 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No