Information card for entry 7124290

Structure parameters

• Formula: C60 H72 B4 F16 N20 O6 Pd2
• Calculated formula: C60 H72 B4 F16 N20 O6 Pd2
• Title of publication: A symmetry interaction approach to [M2L2]4+ metallocycles and their self-catenation
• Authors of publication: Preston, Dan; Inglis, Amanda R.; Garden, Anna L.; Kruger, Paul
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 8.7458 ± 0.0003 Å
• b: 9.9923 ± 0.0003 Å
• c: 22.1097 ± 0.0006 Å
• α: 95.966 ± 0.002°
• β: 90.358 ± 0.002°
• γ: 111.455 ± 0.003°
• Cell volume: 1786.5 ± 0.1 ų
• Cell temperature: 119.98 ± 0.11 K
• Ambient diffraction temperature: 119.98 ± 0.11 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No