Information card for entry 4327390

Structure parameters

• Formula: C54 H58 Cu3 N12 O26 S6
• Calculated formula: C54 H34 Cu3 N12 O26 S6
• Title of publication: A Three-Dimensional, Noninterpenetrating Metal-Organic Framework with the Moganite Topology: A Simple (42.62.82)(4.64.8)2 Net Containing Two Kinds of Topologically Nonequivalent Points
• Authors of publication: Cheng-Yong Su; Mark D. Smith; Andrea M. Goforth; Hans-Conrad zur Loye
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6881 - 6883
• a: 24.9202 ± 0.001 Å
• b: 18.7433 ± 0.0007 Å
• c: 14.6524 ± 0.0006 Å
• α: 90°
• β: 95.74 ± 0.001°
• γ: 90°
• Cell volume: 6809.6 ± 0.5 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1057
• 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: No
• Has Fobs: No