Information card for entry 4128093

Structure parameters

• Formula: C168.5 H156.5 B5.5 F16.5 N31 O25.75 S5.5 Zn3
• Calculated formula: C165.75 H156.5 B6 F9.75 N31 O19 S3.25 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: 22.3184 ± 0.001 Å
• b: 24.7127 ± 0.001 Å
• c: 25.3074 ± 0.0011 Å
• α: 107.577 ± 0.002°
• β: 104.677 ± 0.002°
• γ: 111.113 ± 0.002°
• Cell volume: 11337.5 ± 0.9 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1249
• Residual factor for significantly intense reflections: 0.1055
• Weighted residual factors for significantly intense reflections: 0.2942
• Weighted residual factors for all reflections included in the refinement: 0.3115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No