Information card for entry 7210869

Structure parameters

• Formula: C88 H80 Cl16 Cu5 N20 O4
• Calculated formula: C88 H80 Cl16 Cu5 N20 O4
• Title of publication: Formation of 0D M5L2 helicate cage and 1D loop-and-chain complexes: stepwise assembly and catalytic activity
• Authors of publication: Zhang, Lu-Yin; Liu, Yu; Li, Kang; Pan, Mei; Yan, Cheng; Wei, Shi-Chao; Chen, Yong-Xin; Su, Cheng-Yong
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 35
• Pages of publication: 7106
• a: 12.6625 ± 0.0007 Å
• b: 12.7389 ± 0.0007 Å
• c: 15.6693 ± 0.0007 Å
• α: 91.249 ± 0.004°
• β: 102.326 ± 0.004°
• γ: 108.969 ± 0.005°
• Cell volume: 2323.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1822
• Weighted residual factors for all reflections included in the refinement: 0.1913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No