Information card for entry 7235809

Structure parameters

• Chemical name: [Zn(dcbpy)(DMF)]
• Formula: C18 H20 N4 O6 Zn
• Calculated formula: C18 H20 N4 O6 Zn
• Title of publication: The vapour phase detection of explosive markers and derivatives using two fluorescent metal‒organic frameworks
• Authors of publication: Jurcic, Monika; Peveler, William J.; Savory, Christopher N.; Scanlon, David O.; Kenyon, Anthony J.; Parkin, Ivan P.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2015
• Journal volume: 3
• Journal issue: 12
• Pages of publication: 6351
• a: 9.3725 ± 0.0002 Å
• b: 14.7643 ± 0.0003 Å
• c: 14.7153 ± 0.0003 Å
• α: 90°
• β: 101.058 ± 0.002°
• γ: 90°
• Cell volume: 1998.47 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0459
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No