Information card for entry 4349337

Structure parameters

• Formula: C10 H12 Cu3 N13 O5
• Calculated formula: C10 H12 Cu3 N13 O5
• Title of publication: Synthesis of an Enantipure Tetrazole-Based Homochiral Cu^I,II-MOF for Enantioselective Separation.
• Authors of publication: Liu, Juan; Wang, Fei; Ding, Qing-Rong; Zhang, Jian
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 24
• Pages of publication: 12520 - 12522
• a: 8.3425 ± 0.0007 Å
• b: 11.9337 ± 0.0015 Å
• c: 21.6641 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2156.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1753
• Weighted residual factors for all reflections included in the refinement: 0.1868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No