Information card for entry 1100697

Structure parameters

• Formula: C13 H14 Cu2 I2 N2 S
• Calculated formula: C13 H14 Cu2 I2 N2 S
• a: 10.354 ± 0.005 Å
• b: 16.245 ± 0.005 Å
• c: 10.528 ± 0.005 Å
• α: 90 ± 0.005°
• β: 100.08 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1743.5 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0445
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No