Information card for entry 4128519

Structure parameters

• Formula: C262 H220 B9 Cl F36 N31 Ni5
• Calculated formula: C262 H220 B9 Cl F36 N31 Ni5
• 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: 45.589 ± 0.005 Å
• b: 28.5973 ± 0.0009 Å
• c: 54.689 ± 0.004 Å
• α: 90°
• β: 121.371 ± 0.013°
• γ: 90°
• Cell volume: 60876 ± 12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2019
• Residual factor for significantly intense reflections: 0.1512
• Weighted residual factors for significantly intense reflections: 0.4219
• Weighted residual factors for all reflections included in the refinement: 0.4739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.682
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No