Information card for entry 7120852

Structure parameters

• Formula: C63 H73 N7 O23 Si2 Zn3
• Calculated formula: C42 H24 O16 Si2 Zn3
• 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: 13.2462 ± 0.0005 Å
• b: 27.7134 ± 0.001 Å
• c: 24.5341 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9006.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 26
• Hermann-Mauguin space group symbol: P m c 21
• Hall space group symbol: P 2c -2
• Residual factor for all reflections: 0.1192
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.2269
• Weighted residual factors for all reflections included in the refinement: 0.2552
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No