Information card for entry 7207925

Structure parameters

• Formula: C320 H140 N12 O136 Zn32
• Calculated formula: C80 H35 N3 O34 Zn8
• Title of publication: Connecting structure with function in metal‒organic frameworks to design novel photo- and radioluminescent materials
• Authors of publication: Perry IV, John J.; Feng, Patrick L.; Meek, Scott T.; Leong, Kirsty; Doty, F. Patrick; Allendorf, Mark D.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 20
• Pages of publication: 10235
• a: 23.5793 ± 0.0002 Å
• b: 18.6265 ± 0.0001 Å
• c: 30.1227 ± 0.0002 Å
• α: 90°
• β: 93.223 ± 0.001°
• γ: 90°
• Cell volume: 13209 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1354
• Residual factor for significantly intense reflections: 0.1318
• Weighted residual factors for significantly intense reflections: 0.3614
• Weighted residual factors for all reflections included in the refinement: 0.363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No