Information card for entry 4129866

Structure parameters

• Formula: C13 H13 N O5 Zn
• Calculated formula: C13 H13 N O5 Zn
• Title of publication: Synthesis of a Chiral Crystal Form of MOF-5, CMOF-5, by Chiral Induction.
• Authors of publication: Zhang, Shi-Yuan; Li, Dan; Guo, Dong; Zhang, Hui; Shi, Wei; Cheng, Peng; Wojtas, Lukasz; Zaworotko, Michael J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 49
• Pages of publication: 15406 - 15409
• a: 7.4531 ± 0.0001 Å
• b: 13.908 ± 0.0002 Å
• c: 12.7717 ± 0.0002 Å
• α: 90°
• β: 103.22 ± 0.001°
• γ: 90°
• Cell volume: 1288.8 ± 0.03 ų
• Cell temperature: 228 ± 2 K
• Ambient diffraction temperature: 228 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No