Information card for entry 7106272

Structure parameters

• Formula: C118 H86 Cu4 N2 O28
• Calculated formula: C118 H86 Cu4 N2 O28
• Title of publication: Surface functionalization of metal–organic polyhedron for homogeneous cyclopropanation catalysis
• Authors of publication: Weigang Lu; Daqiang Yuan; Andrey A. Yakovenko; Hong-Cai Zhou
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 4968
• a: 14.852 ± 0.003 Å
• b: 16.673 ± 0.003 Å
• c: 17.458 ± 0.006 Å
• α: 110.385 ± 0.004°
• β: 103.907 ± 0.004°
• γ: 108.85 ± 0.003°
• Cell volume: 3518.5 ± 1.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 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: 0.1458
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No