Information card for entry 4303776

Structure parameters

• Formula: C36 H40 Cu2 I2 O4 S4
• Calculated formula: C36 H40 Cu2 I2 O4 S4
• 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: 20.1114 ± 0.0019 Å
• b: 8.6467 ± 0.0008 Å
• c: 34.485 ± 0.003 Å
• α: 90°
• β: 99.883 ± 0.002°
• γ: 90°
• Cell volume: 5907.9 ± 0.9 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: 0.133
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No