Information card for entry 7109745

Structure parameters

• Formula: C116 H146 Cu N52 O43
• Calculated formula: C116 H124 Cu N52 O32
• Title of publication: Metal ion directed metal-organic rotaxane frameworks with intrinsic features of self-penetration and interpenetration
• Authors of publication: Jun Liang; Xin-Long Wang; Yan-Qing Jiao; Chao Qin; Kui-Zhan Shao; Zhong-Min Su; Qing-Yin Wu
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 8555
• a: 37.209 ± 0.005 Å
• b: 37.083 ± 0.005 Å
• c: 23.517 ± 0.005 Å
• α: 90 ± 0.005°
• β: 113.162 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 29834 ± 9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1518
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No