Information card for entry 7121009

Structure parameters

• Formula: C76.96 H55.54 Cu8 O49
• Calculated formula: C76.96 H55.54 Cu8 O49
• Title of publication: Amphiphile-like self assembly of metal organic polyhedra having both polar and non-polar groups.
• Authors of publication: Lal, Garima; Lee, Shiron J.; Spasyuk, Denis M.; Shimizu, George K. H.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 14
• Pages of publication: 1722 - 1725
• a: 34.773 ± 0.004 Å
• b: 34.773 ± 0.004 Å
• c: 34.773 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 42046 ± 8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.1622
• Residual factor for significantly intense reflections: 0.103
• Weighted residual factors for significantly intense reflections: 0.2345
• Weighted residual factors for all reflections included in the refinement: 0.2599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.68881 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No