Information card for entry 7108774

Structure parameters

• Common name: \1
• Formula: C22.66 H17.33 Cl3.33 Cu N4 O0
• Calculated formula: C22.663 H17.326 Cl3.326 Cu N4
• Title of publication: An infinite catenane self-assembled by pi^...^pi interactions
• Authors of publication: Leigh Loots; Leonard J. Barbour
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 671
• a: 15.2832 ± 0.0009 Å
• b: 23.1589 ± 0.0015 Å
• c: 13.5599 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4799.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No