Information card for entry 4504766

Structure parameters

• Formula: C30 H36.5 Cu2 N2 O11.25
• Calculated formula: C30 H34 Cu2 N2 O11.25
• 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: 10.804 ± 0.002 Å
• b: 10.741 ± 0.003 Å
• c: 14.05 ± 0.004 Å
• α: 87.357 ± 0.011°
• β: 88.031 ± 0.012°
• γ: 68.716 ± 0.016°
• Cell volume: 1517.3 ± 0.7 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: 0.1558
• Residual factor for significantly intense reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.1891
• Weighted residual factors for all reflections included in the refinement: 0.2203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No