Information card for entry 4134693

Structure parameters

• Formula: C37 H34 F3 N10 O10 S Zn2
• Calculated formula: C37 H34 F3 N10 O10 S Zn2
• Title of publication: Subcomponent Self-Assembly of Covalent Metallacycles Templated by Catalytically Active Seven-Coordinate Transition Metal Centers.
• Authors of publication: Li, Zhi-Wei; Wang, Xin; Wei, Lian-Qiang; Ivanović-Burmazović, Ivana; Liu, Gao-Feng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 16
• Pages of publication: 7283 - 7288
• a: 14.8683 ± 0.0017 Å
• b: 35.964 ± 0.004 Å
• c: 15.7673 ± 0.0018 Å
• α: 90°
• β: 115.88 ± 0.003°
• γ: 90°
• Cell volume: 7585.6 ± 1.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 119.99 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.2173
• Residual factor for significantly intense reflections: 0.1471
• Weighted residual factors for significantly intense reflections: 0.423
• Weighted residual factors for all reflections included in the refinement: 0.4519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.329
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No