Information card for entry 4128520

Structure parameters

• Formula: C260 H220 B9 Cl F36 N30 Zn5
• Calculated formula: C260 H120 B7 Cl F28 N30 Zn5
• Title of publication: Coordination Chemistry of a Molecular Pentafoil Knot.
• Authors of publication: Zhang, Liang; Stephens, Alexander J.; Lemonnier, Jean-François; Pirvu, Lucian; Vitorica-Yrezabal, Iñigo J; Robinson, Christopher J.; Leigh, David A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 9
• Pages of publication: 3952 - 3958
• a: 46.5552 ± 0.0019 Å
• b: 25.4416 ± 0.001 Å
• c: 54.939 ± 0.003 Å
• α: 90°
• β: 108.29 ± 0.005°
• γ: 90°
• Cell volume: 61784 ± 5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.2457
• Residual factor for significantly intense reflections: 0.2063
• Weighted residual factors for significantly intense reflections: 0.523
• Weighted residual factors for all reflections included in the refinement: 0.5535
• Goodness-of-fit parameter for all reflections included in the refinement: 2.237
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No