Information card for entry 4124879

Structure parameters

• Formula: C399 H382.5 Cd8 F48 N63.5 O72 S16
• Calculated formula: C395.1 H373.5 Cd8 F36.3 N63.5 O60.3 S12.1
• Title of publication: Subcomponent Flexibility Enables Conversion between D4-Symmetric Cd(II)8L8 and T-Symmetric Cd(II)4L4 Assemblies.
• Authors of publication: Mosquera, Jesús; Ronson, Tanya K.; Nitschke, Jonathan R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 6
• Pages of publication: 1812 - 1815
• a: 90.538 ± 0.007 Å
• b: 27.809 ± 0.002 Å
• c: 48.343 ± 0.003 Å
• α: 90°
• β: 119.129 ± 0.003°
• γ: 90°
• Cell volume: 106323 ± 13 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• 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: 0.146
• Residual factor for significantly intense reflections: 0.1192
• Weighted residual factors for significantly intense reflections: 0.3429
• Weighted residual factors for all reflections included in the refinement: 0.3588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.372
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No