Information card for entry 4128091

Structure parameters

• Formula: C177.45 H243.1 B66 N32.5 O11.35 Zn3
• Calculated formula: C171.45 H232.9 B61.8 N32.5 O11.35 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: 21.025 ± 0.004 Å
• b: 24.479 ± 0.005 Å
• c: 25.666 ± 0.005 Å
• α: 66.64 ± 0.03°
• β: 70.61 ± 0.03°
• γ: 71.93 ± 0.03°
• Cell volume: 11193 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.2801
• Weighted residual factors for all reflections included in the refinement: 0.2922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No