Information card for entry 7106274

Structure parameters

• Formula: C169 H191 Cu4 N4 O29
• Calculated formula: C169 H191 Cu4 N4 O29
• 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: 15.2237 ± 0.0009 Å
• b: 28.9086 ± 0.0017 Å
• c: 36.303 ± 0.002 Å
• α: 90°
• β: 100.644 ± 0.001°
• γ: 90°
• Cell volume: 15701.9 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1755
• Residual factor for significantly intense reflections: 0.1167
• Weighted residual factors for significantly intense reflections: 0.2248
• Weighted residual factors for all reflections included in the refinement: 0.2461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No