Information card for entry 7215227

Structure parameters

• Formula: C88 H156 Cd2 N36 O20 Si
• Calculated formula: C40 H44 Cd2 N20 O4 Si
• Title of publication: Microporous metal‒organic frameworks built from rigid tetrahedral tetrakis(4-tetrazolylphenyl)silane connectors
• Authors of publication: Timokhin, I.; White, A. J. P.; Lickiss, P. D.; Pettinari, C.; Davies, R. P.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• a: 36.97447 ± 0.00015 Å
• b: 36.97447 ± 0.00015 Å
• c: 36.97447 ± 0.00015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 50548.2 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 230
• Hermann-Mauguin space group symbol: I a -3 d
• Hall space group symbol: -I 4bd 2c 3
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No