Information card for entry 4000112

Structure parameters

• Formula: C39 H46 Cl2 Cu N6 O2
• Calculated formula: C39 H42 Cl2 Cu N6 O2
• Journal of publication: Chemistry of Materials
• Year of publication: 2002
• a: 17.1905 ± 0.0009 Å
• b: 16.242 ± 0.0009 Å
• c: 26.8593 ± 0.0018 Å
• α: 90°
• β: 91.593 ± 0.002°
• γ: 90°
• Cell volume: 7496.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1305
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections: 0.2415
• Weighted residual factors for significantly intense reflections: 0.2028
• Goodness-of-fit parameter for all reflections: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No