Information card for entry 4128094

Structure parameters

• Formula: C168 H161.5 B6 F24 N33.5 O10.5 Zn3
• Calculated formula: C166 H158.5 B6 F24 N32.5 O10.5 Zn3
• Title of publication: Hydrogen-Bond-Assisted Symmetry Breaking in a Network of Chiral Metal-Organic Assemblies.
• Authors of publication: Rizzuto, Felix J.; Pröhm, Patrick; Plajer, Alex J.; Greenfield, Jake L.; Nitschke, Jonathan R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 4
• Pages of publication: 1707 - 1715
• a: 24.9958 ± 0.0011 Å
• b: 35.3721 ± 0.0014 Å
• c: 22.2126 ± 0.0007 Å
• α: 90°
• β: 104.784 ± 0.003°
• γ: 90°
• Cell volume: 18989.2 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1353
• Residual factor for significantly intense reflections: 0.113
• Weighted residual factors for significantly intense reflections: 0.32
• Weighted residual factors for all reflections included in the refinement: 0.3385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No