Information card for entry 7123953

Structure parameters

• Formula: C144 H108 B8 Co4 F32 N24 O12 P4 Se4
• Calculated formula: C144 H108 B8 Co4 F32 N24 O12 P4 Se4
• 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: 41.505 ± 0.008 Å
• b: 12.145 ± 0.002 Å
• c: 41.753 ± 0.008 Å
• α: 90°
• β: 117.41 ± 0.03°
• γ: 90°
• Cell volume: 18684 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• 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: 0.127
• Residual factor for significantly intense reflections: 0.0947
• Weighted residual factors for significantly intense reflections: 0.2495
• Weighted residual factors for all reflections included in the refinement: 0.2724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No