Information card for entry 4000114

Structure parameters

• Formula: C26 H33.5 Cl2 Cu N4 O2.75
• Calculated formula: C26 H28 Cl2 Cu N4 O2.75
• Journal of publication: Chemistry of Materials
• Year of publication: 2002
• a: 17.221 ± 0.0007 Å
• b: 17.221 ± 0.0007 Å
• c: 40.9649 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12148.7 ± 0.9 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.121
• Residual factor for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections: 0.2678
• Weighted residual factors for significantly intense reflections: 0.2555
• Goodness-of-fit parameter for all reflections: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No