Information card for entry 7207162

Structure parameters

• Formula: C92 H127 N11 O24 Si2 Zn4
• Calculated formula: C48.05 H28.032 O13.012 Si2 Zn4
• Title of publication: An organosilicon hexacarboxylic acid and its use in the construction of a novel metal organic framework isoreticular to MOF-5
• Authors of publication: Davies, Robert P.; Lickiss, Paul D.; Robertson, Karen; White, Andrew J. P.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 758
• a: 22.42158 ± 0.00019 Å
• b: 22.42158 ± 0.00019 Å
• c: 22.42158 ± 0.00019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11271.9 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.118
• Residual factor for significantly intense reflections: 0.1007
• Weighted residual factors for significantly intense reflections: 0.3406
• Weighted residual factors for all reflections included in the refinement: 0.3593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.382
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No