Information card for entry 4502023

Structure parameters

• Formula: C9.5 H16 Cu0.25 N1.5 O2.75 Si0.125
• Calculated formula: C3.5 H2 Cu0.25 O1.25 Si0.125
• Title of publication: Structural Diversity in Metal−Organic Frameworks Built from Rigid Tetrahedral [Si(p-C6H4CO2)4]4−Struts
• Authors of publication: Davies, Robert P.; Less, Rob; Lickiss, Paul D.; Robertson, Karen; White, Andrew J. P.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 4571
• a: 12.371 ± 0.0012 Å
• b: 12.371 ± 0.0012 Å
• c: 24.0689 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3683.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 131
• Hermann-Mauguin space group symbol: P 42/m m c
• Hall space group symbol: -P 4c 2
• Residual factor for all reflections: 0.2156
• Residual factor for significantly intense reflections: 0.1879
• Weighted residual factors for significantly intense reflections: 0.4202
• Weighted residual factors for all reflections included in the refinement: 0.4358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.393
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No