Information card for entry 7231280

Structure parameters

• Formula: C59.25 H67.25 N4.75 O19.75 Si3 Zn3
• Calculated formula: C46 H33 O16 Si3 Zn3
• Title of publication: Trisiloxane-centred metal‒organic frameworks and hydrogen bonded assemblies
• Authors of publication: Delmas, Luke C.; White, Andrew J. P.; Pugh, David; Horton, Peter N.; Coles, Simon J.; Lickiss, Paul D.; Davies, Robert P.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 32
• Pages of publication: 4541
• a: 32.1888 ± 0.0009 Å
• b: 13.9804 ± 0.0003 Å
• c: 30.8839 ± 0.0008 Å
• α: 90°
• β: 95.684 ± 0.003°
• γ: 90°
• Cell volume: 13829.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0558
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No