Information card for entry 7121718

Structure parameters

• Formula: C60 H92 N4 O36 Zr6
• Calculated formula: C60 H92 N4 O36 Zr6
• 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: 16.0037 ± 0.0004 Å
• b: 16.0037 ± 0.0004 Å
• c: 16.2833 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4170.5 ± 0.4 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0188
• Residual factor for significantly intense reflections: 0.0163
• Weighted residual factors for significantly intense reflections: 0.0386
• Weighted residual factors for all reflections included in the refinement: 0.0389
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No