Information card for entry 7711923

Structure parameters

• Formula: C141 Cl4 O41.33 Zr12
• Calculated formula: C141 Cl4 O41.3333 Zr12
• 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: 31.9619 ± 0.0003 Å
• b: 35.5863 ± 0.0003 Å
• c: 42.8112 ± 0.0004 Å
• α: 86.16 ± 0.001°
• β: 86.329 ± 0.001°
• γ: 63.715 ± 0.001°
• Cell volume: 43528.7 ± 0.8 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.162
• Residual factor for significantly intense reflections: 0.1233
• Weighted residual factors for significantly intense reflections: 0.3593
• Weighted residual factors for all reflections included in the refinement: 0.3956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.275
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No