Information card for entry 7107925

Structure parameters

• Formula: C7 H6 N4 O2 Zn
• Calculated formula: C7 H6 N4 O2 Zn
• Title of publication: Synthetic control of framework zinc purinate crystallisation and properties of a large pore, decorated, mixed-linker RHO-type ZIF
• Authors of publication: Jurgen Kahr; Alexandra M. Z. Slawin; John P. S. Mowat; David Fairen-Jimenez; Paul A. Wright
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 6690
• a: 15.02 ± 0.03 Å
• b: 15.02 ± 0.03 Å
• c: 9.57 ± 0.019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2159 ± 7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0753
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.2167
• Weighted residual factors for all reflections included in the refinement: 0.2174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No