Information card for entry 7124715

Structure parameters

• Chemical name: octa[tris-(4-methylthiazolyl)cyclotriguaiacylene]dodecasilver(I)tetrafluoroborate
• Formula: C288 H264 Ag12 B12 F48 N24 O48 S24
• Calculated formula: C288 H264 Ag12 N24 O48 S24
• Title of publication: M12L8 metallo-supramolecular cube with cyclotriguaiacylene-type ligand: spontaneous resolution of cube and its constituent host ligand.
• Authors of publication: Fowler, Jonathan M.; Thorp-Greenwood, Flora L; Warriner, Stuart L.; Willans, Charlotte E.; Hardie, Michaele J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 56
• Pages of publication: 8699 - 8702
• a: 35.4548 ± 0.0007 Å
• b: 35.4548 ± 0.0007 Å
• c: 35.4548 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 44568.2 ± 1.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 209
• Hermann-Mauguin space group symbol: F 4 3 2
• Hall space group symbol: F 4 2 3
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.2054
• Weighted residual factors for all reflections included in the refinement: 0.2256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No