Information card for entry 7211232

Structure parameters

• Formula: C19 H20 Cu N O2 S3
• Calculated formula: C19 H20 Cu N O2 S3
• Title of publication: Exocyclic coordination chemistry of an O2S2-macrocycle with copper(i), mercury(ii) and palladium(ii) ions
• Authors of publication: Kim, Seulgi; Lee, Eunji; Park, Ki-Min; Lee, Shim Sung
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 42
• Pages of publication: 8544
• a: 11.814 ± 0.012 Å
• b: 14.973 ± 0.015 Å
• c: 11.418 ± 0.012 Å
• α: 90°
• β: 105.401 ± 0.019°
• γ: 90°
• Cell volume: 1947 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1484
• Residual factor for significantly intense reflections: 0.0898
• Weighted residual factors for significantly intense reflections: 0.1817
• Weighted residual factors for all reflections included in the refinement: 0.1996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No