Information card for entry 7121717

Structure parameters

• Chemical name: Zr12_acetate_solvate
• Formula: C51.2 H86.4 O71.2 Zr12
• Calculated formula: C51.2 H86.4 O71.2 Zr12
• Title of publication: Green and rapid mechanosynthesis of high-porosity NU- and UiO-type metal-organic frameworks.
• Authors of publication: Fidelli, Athena M.; Karadeniz, Bahar; Howarth, Ashlee J.; Huskić, Igor; Germann, Luzia S.; Halasz, Ivan; Etter, Martin; Moon, Su-Young; Dinnebier, Robert E.; Stilinović, Vladimir; Farha, Omar K.; Friščić, Tomislav; UŽarević, Krunoslav
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 51
• Pages of publication: 6999 - 7002
• a: 12.5793 ± 0.0008 Å
• b: 15.7491 ± 0.0008 Å
• c: 16.7679 ± 0.0013 Å
• α: 116.322 ± 0.006°
• β: 93.693 ± 0.006°
• γ: 106.969 ± 0.005°
• Cell volume: 2774.1 ± 0.4 ų
• Cell temperature: 118 ± 2 K
• Ambient diffraction temperature: 118 ± 2 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: 0.0962
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1855
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No