Information card for entry 4303775

Structure parameters

• Formula: C18 H20 Br Cu O2 S2
• Calculated formula: C18 H20 Br Cu O2 S2
• Title of publication: Copper(I), Silver(I), and Palladium(II) Complexes of a Thiaoxamacrocycle Displaying Unusual Topologies
• Authors of publication: So Young Lee; Sunhong Park; Shim Sung Lee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11335 - 11341
• a: 11.5981 ± 0.0008 Å
• b: 8.3384 ± 0.0006 Å
• c: 19.4876 ± 0.0014 Å
• α: 90°
• β: 97.743 ± 0.001°
• γ: 90°
• Cell volume: 1867.5 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No