Information card for entry 7120850

Structure parameters

• Formula: C46 H38 O17 Si2
• Calculated formula: C42 H24 O13 Si2
• Title of publication: Siloxane-based linkers in the construction of hydrogen bonded assemblies and porous 3D MOFs
• Authors of publication: Delmas, Luke C.; Horton, Peter N.; White, Andrew J. P.; Coles, Simon J.; Lickiss, Paul D.; Davies, Robert P.
• Journal of publication: Chemical Communications
• Year of publication: 2017
• a: 17.0954 ± 0.0009 Å
• b: 17.1816 ± 0.0004 Å
• c: 17.3736 ± 0.0007 Å
• α: 93.458 ± 0.003°
• β: 105.795 ± 0.004°
• γ: 104.49 ± 0.003°
• Cell volume: 4708.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1164
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.2206
• Weighted residual factors for all reflections included in the refinement: 0.275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No