Information card for entry 4510738

Structure parameters

• Formula: C31 H26 Br N O6 Zn
• Calculated formula: C31 H26 Br N O6 Zn
• Title of publication: Tuning the Hydrophobicity of Zinc Dipyridyl Paddlewheel Metal‒Organic Frameworks for Selective Sorption
• Authors of publication: Weston, Mitchell H.; Delaquil, Amelia A.; Sarjeant, Amy A.; Farha, Omar K.; Hupp, Joseph T.; Nguyen, SonBinh T.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 2938
• a: 11.0629 ± 0.0006 Å
• b: 15.9543 ± 0.0008 Å
• c: 18.2692 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3224.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 47
• Hermann-Mauguin space group symbol: P m m m
• Hall space group symbol: -P 2 2
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.2327
• Weighted residual factors for all reflections included in the refinement: 0.2405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No