Information card for entry 4512226

Structure parameters

• Formula: C47 H24 Br2 N2 O8 Zn2
• Calculated formula: C47 H24 Br2 N2 O8 Zn2
• Title of publication: Metal‒Organic Frameworks Containing (Alkynyl)Gold Functionalities: A Comparative Evaluation of Solvent-Assisted Linker Exchange,de NovoSynthesis, and Post-synthesis Modification
• Authors of publication: Madrahimov, Sherzod T.; Atesin, Tulay A.; Karagiaridi, Olga; Sarjeant, Amy A.; Farha, Omar K.; Hupp, Joseph T.; Nguyen, SonBinh T.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 12
• Pages of publication: 6320
• a: 11.27 ± 0.003 Å
• b: 15.803 ± 0.002 Å
• c: 16.274 ± 0.003 Å
• α: 90°
• β: 97.169 ± 0.012°
• γ: 90°
• Cell volume: 2875.7 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 6
• Space group number: 10
• Hermann-Mauguin space group symbol: P 1 2/m 1
• Hall space group symbol: -P 2y
• Residual factor for all reflections: 0.1097
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.2383
• Weighted residual factors for all reflections included in the refinement: 0.2556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No