Information card for entry 1549671

Structure parameters

• Formula: C110 H82 Cu4 N2 O24
• Calculated formula: C110 H82 Cu4 N2 O24
• Title of publication: Switchable gate-opening effect in metal-organic polyhedra assemblies through solution processing.
• Authors of publication: Craig, Gavin A.; Larpent, Patrick; Kusaka, Shinpei; Matsuda, Ryotaro; Kitagawa, Susumu; Furukawa, Shuhei
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 31
• Pages of publication: 6463 - 6469
• a: 15.9653 ± 0.0003 Å
• b: 17.691 ± 0.0004 Å
• c: 18.2258 ± 0.0005 Å
• α: 61.811 ± 0.002°
• β: 88.11 ± 0.002°
• γ: 64.125 ± 0.002°
• Cell volume: 3983.8 ± 0.2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No