Information card for entry 4504767

Structure parameters

• Formula: C44 H50 Cu4 N2 O16
• Calculated formula: C44 H50 Cu4 N2 O16
• Title of publication: α-Po Nets of Copper(II)-trans-1,4-Cyclohexanedicarboxylate Frameworks Based on a Paddle-Wheel Building Block and Its Enlarged Dimer
• Authors of publication: Chen, Banglin; Fronczek, Frank R.; Courtney, Brandy H.; Zapata, Fatima
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 4
• Pages of publication: 825
• a: 10.708 ± 0.004 Å
• b: 10.822 ± 0.005 Å
• c: 11.457 ± 0.006 Å
• α: 111.84 ± 0.02°
• β: 93.35 ± 0.03°
• γ: 113.52 ± 0.03°
• Cell volume: 1096.1 ± 1 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.145
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No