Information card for entry 7106271

Structure parameters

• Formula: C104 H72 Cu4 O24 S2
• Calculated formula: C104 H72 Cu4 O24 S2
• 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: 25.16 ± 0.003 Å
• b: 25.16 ± 0.003 Å
• c: 25.726 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16285 ± 3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.151
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.1683
• Goodness-of-fit parameter for all reflections included in the refinement: 0.795
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No