Information card for entry 7123950

Structure parameters

• Formula: C144 H108 B8 Co4 F32 N24 O12 P4 S4
• Calculated formula: C144 H108 B8 Co4 F32 N24 O12 P4 S4
• Title of publication: Self-assembly of M4L4 Tetrahedral Cages Incorporating Pendant P=S and P=Se Functionalised Ligands
• Authors of publication: Butler, Patrick; Kruger, Paul; Ward, Jas S.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 22.9 ± 0.005 Å
• b: 24.86 ± 0.005 Å
• c: 38.8 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22089 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1411
• Residual factor for significantly intense reflections: 0.1009
• Weighted residual factors for significantly intense reflections: 0.2807
• Weighted residual factors for all reflections included in the refinement: 0.3107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No