Information card for entry 4000321

Structure parameters

• Formula: C20 H27 Br3.5 Cu1.5 N2 O2.5
• Calculated formula: C20 H26 Br3.5 Cu1.5 N2 O2.5
• Journal of publication: Chemistry of Materials
• Year of publication: 2003
• a: 17.931 ± 0.003 Å
• b: 14.611 ± 0.002 Å
• c: 9.5135 ± 0.0015 Å
• α: 90°
• β: 106.905 ± 0.003°
• γ: 90°
• Cell volume: 2384.6 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1408
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 0.503
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No