Information card for entry 7200919

Structure parameters

• Formula: C28 H24 F8 N18 O14 Zn5
• Calculated formula: C28 H16 F8 N18 O14 Zn5
• Title of publication: Enhanced H2 adsorption enthalpy in the low-surface area, partially fluorinated coordination polymer Zn5(triazole)6(tetrafluoroterephthalate)2(H2O)2·4H2O
• Authors of publication: Hulvey, Zeric; Falcao, Eduardo H. L.; Eckert, Juergen; Cheetham, Anthony K.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2009
• Journal volume: 19
• Journal issue: 25
• Pages of publication: 4307
• a: 10.137 ± 0.005 Å
• b: 10.228 ± 0.005 Å
• c: 12.747 ± 0.007 Å
• α: 74.562 ± 0.008°
• β: 83.796 ± 0.009°
• γ: 60.952 ± 0.007°
• Cell volume: 1113.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1102
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No