Information card for entry 1562030

Structure parameters

• Formula: C60 H48 Cu3 N12 O19
• Calculated formula: C60 H48 Cu3 N12 O19
• Title of publication: Temperature-dependent polymorphism and magnetic properties of three-dimensional copper pyromellitate coordination polymers containing 4,4′-dipyridylamine
• Authors of publication: Mizzi, Jessica E.; Staples, Richard J.; LaDuca, Robert L.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2015
• Journal volume: 225
• Pages of publication: 222 - 230
• a: 10.3201 ± 0.0013 Å
• b: 10.8466 ± 0.0014 Å
• c: 12.7508 ± 0.0017 Å
• α: 94.475 ± 0.002°
• β: 96.731 ± 0.002°
• γ: 106.684 ± 0.002°
• Cell volume: 1348.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No