Information card for entry 4327240

Structure parameters

• Formula: C51 H43 Cl11 Cu N8 O16
• Calculated formula: C51 H43 Cl11 Cu N8 O16
• Title of publication: Assembly of Trigonal and Tetragonal Prismatic Cages from Octahedral Metal Ions and a Flexible Molecular Clip
• Authors of publication: Zhi-Min Liu; Yu Liu; Sheng-Run Zheng; Zhi-Quan Yu; Mei Pan; Cheng-Yong Su
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 5814 - 5816
• a: 12.32 ± 0.004 Å
• b: 14.443 ± 0.004 Å
• c: 19.498 ± 0.005 Å
• α: 100.76 ± 0.02°
• β: 91.57 ± 0.02°
• γ: 108.96 ± 0.03°
• Cell volume: 3209 ± 1.7 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: 0.1522
• Residual factor for significantly intense reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.1922
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No