Information card for entry 7711920

Structure parameters

• Common name: ZrMOP-ben-lantern
• Formula: C102 H98 Cl2 N2 O22.5 Zr6
• Calculated formula: C102 H98 Cl2 N2 O22.5 Zr6
• Title of publication: Altering the solubility of metal-organic polyhedra <i>via</i> pendant functionalization of Cp₃Zr₃O(OH)₃ nodes.
• Authors of publication: Sullivan, Meghan G.; Sokolow, Gregory E.; Jensen, Eric T.; Crawley, Matthew R.; MacMillan, Samantha N.; Cook, Timothy R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 338 - 346
• a: 23.8868 ± 0.0003 Å
• b: 14.9932 ± 0.0002 Å
• c: 33.5014 ± 0.0003 Å
• α: 90°
• β: 103.661 ± 0.001°
• γ: 90°
• Cell volume: 11658.7 ± 0.2 ų
• Cell temperature: 101 ± 1 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1992
• Weighted residual factors for all reflections included in the refinement: 0.2098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No