Information card for entry 7107924

Structure parameters

• Formula: C11.5 H9.5 Br2 N8.5 O0.5 Zn2
• Calculated formula: C11.5 H9.5 Br2 N8.5 O0.5 Zn2
• 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: 13.636 ± 0.007 Å
• b: 10.209 ± 0.005 Å
• c: 14.124 ± 0.007 Å
• α: 90°
• β: 91.568 ± 0.009°
• γ: 90°
• Cell volume: 1965.5 ± 1.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• 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: 0.064
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No