Information card for entry 7129206

Structure parameters

• Formula: C186 H108 F12 N4 O12 P4 Pt2 S12
• Calculated formula: C186 H108 F12 N4 O12 P4 Pt2 S12
• Title of publication: A Self-assembled M2L2 Truncated Square and its Application as a Container for Fullerenes
• Authors of publication: Yuan, Jun; Lv, Wanqian; Li, Anquan; Zhu, Kelong
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 38.3955 ± 0.0006 Å
• b: 17.1804 ± 0.0003 Å
• c: 35.9313 ± 0.0007 Å
• α: 90°
• β: 103.07 ± 0.002°
• γ: 90°
• Cell volume: 23088.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.1627
• Residual factor for significantly intense reflections: 0.1267
• Weighted residual factors for significantly intense reflections: 0.3068
• Weighted residual factors for all reflections included in the refinement: 0.3249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No