Information card for entry 1563208

Structure parameters

• Formula: C20 H28 Cu2 N4 O10 S
• Calculated formula: C20 H28 Cu2 N4 O10 S
• Title of publication: Metal-organic framework based on copper(I) sulfate and 4,4′-bipyridine catalyzes the cyclopropanation of styrene
• Authors of publication: Shi, Fa-Nian; Silva, Ana Rosa; Rocha, João
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2011
• Journal volume: 184
• Journal issue: 8
• Pages of publication: 2196 - 2203
• a: 29.107 ± 0.002 Å
• b: 17.1516 ± 0.0012 Å
• c: 21.5943 ± 0.0015 Å
• α: 90°
• β: 110.371 ± 0.003°
• γ: 90°
• Cell volume: 10106.3 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0914
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1376
• 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: No
• Has Fobs: No