Information card for entry 4514599

Structure parameters

• Formula: C42 H22 O24 Zn4
• Calculated formula: C42 H22 O24 Zn4
• Title of publication: Sensing and Discrimination of Explosives at Variable Concentrations with a Large-Pore MOF as Part of a Luminescent Array.
• Authors of publication: Jurcic, Monika; Peveler, William J.; Savory, Christopher N.; Bučar, Dejan-Krešimir; Kenyon, Anthony J.; Scanlon, David O.; Parkin, Ivan P.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 11618 - 11626
• a: 25.0266 ± 0.0005 Å
• b: 28.3182 ± 0.0007 Å
• c: 30.3737 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21526.1 ± 0.8 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 69
• Hermann-Mauguin space group symbol: F m m m
• Hall space group symbol: -F 2 2
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0189
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No