Information card for entry 4135435

Structure parameters

• Formula: C70 H111 F12 N3 O7 P6 Pt2
• Calculated formula: C70 H111 F12 N3 O7 P6 Pt2
• Title of publication: TEMPO Radical-Functionalized Supramolecular Coordination Complexes with Controllable Spin-Spin Interactions.
• Authors of publication: Jiang, Wei-Ling; Peng, Zhiyong; Huang, Bin; Zhao, Xiao-Li; Sun, Di; Shi, Xueliang; Yang, Hai-Bo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 13.5498 ± 0.0002 Å
• b: 45.425 ± 0.0005 Å
• c: 13.8449 ± 0.0002 Å
• α: 90°
• β: 108.155 ± 0.001°
• γ: 90°
• Cell volume: 8097.3 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.1154
• Residual factor for significantly intense reflections: 0.1125
• Weighted residual factors for significantly intense reflections: 0.2632
• Weighted residual factors for all reflections included in the refinement: 0.2647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No