Information card for entry 7056067

Structure parameters

• Formula: C100 H128 B2 F8 N4 O8 Pd S16
• Calculated formula: C82 H73 B2 F8 N4 Pd S8
• Title of publication: A self-assembled M2L4 cage incorporating electron-rich 9-(1,3-dithiol-2-ylidene)fluorene units
• Authors of publication: Croué, V.; Krykun, S.; Allain, M.; Morille, Y.; Aubriet, F.; Carré, V.; Voitenko, Z.; Goeb, S.; Sallé, M.
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 9
• Pages of publication: 3238
• a: 17.4676 ± 0.0007 Å
• b: 17.8158 ± 0.0006 Å
• c: 20.064 ± 0.001 Å
• α: 74.016 ± 0.004°
• β: 67.644 ± 0.004°
• γ: 89.049 ± 0.003°
• Cell volume: 5524 ± 0.5 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2912
• Residual factor for significantly intense reflections: 0.0908
• Weighted residual factors for significantly intense reflections: 0.2262
• Weighted residual factors for all reflections included in the refinement: 0.2725
• Goodness-of-fit parameter for all reflections included in the refinement: 0.708
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.67221 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No