Information card for entry 4109570

Structure parameters

• Formula: C51.5 H52.5 Cu2 N4 O11.75
• Calculated formula: C51.5 H30 Cu2 N4 O11.75
• Title of publication: Reversible Interconversion of Homochiral Triangular Macrocycles and Helical Coordination Polymers
• Authors of publication: Jungseok Heo; You-Moon Jeon; Chad A. Mirkin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 7712 - 7713
• a: 18.238 ± 0.0014 Å
• b: 18.238 ± 0.0014 Å
• c: 14.286 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4115.2 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.1064
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1755
• Weighted residual factors for all reflections included in the refinement: 0.2154
• Goodness-of-fit parameter for all reflections included in the refinement: 0.752
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No