Information card for entry 7106768

Structure parameters

• Formula: C68 H62 Cu2 N2 O14
• Calculated formula: C68 H62 Cu2 N2 O14
• Title of publication: Homochiral 3D Metal-Organic Frameworks from Chiral 1D Rods: 6-Way Helical Packing
• Authors of publication: Sung Min Shin; Kyung Seok Jeong; Jaheon Kim; Praveen K. Thallapally; Nakcheol Jeong
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 9402
• a: 18.6018 ± 0.0016 Å
• b: 18.6018 ± 0.0016 Å
• c: 42.963 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12875 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.1074
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No