Information card for entry 7120851

Structure parameters

• Formula: C33 H48 N4 O15 Si Zn2
• Calculated formula: C33 H44 N4 O14.998 Si Zn2
• 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: 12.2548 ± 0.0009 Å
• b: 12.8569 ± 0.0009 Å
• c: 14.9698 ± 0.001 Å
• α: 112.029 ± 0.005°
• β: 93.34 ± 0.004°
• γ: 105.787 ± 0.003°
• Cell volume: 2069.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1758
• Weighted residual factors for all reflections included in the refinement: 0.1826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No