Information card for entry 7104333

Structure parameters

• Formula: C46 H40 F12 N8 O18 S4 Zn2
• Calculated formula: C46 H40 F12 N8 O18 S4 Zn2
• Title of publication: Self-sorting of equilibrating metallosupramolecular DCLs via constitutional crystallization.
• Authors of publication: Barboiu, Mihail; Dumitru, Florina; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 16
• Pages of publication: 2192 - 2194
• a: 8.933 ± 0.0003 Å
• b: 10.5894 ± 0.0004 Å
• c: 30.0903 ± 0.001 Å
• α: 81.785 ± 0.003°
• β: 89.709 ± 0.003°
• γ: 87.927 ± 0.003°
• Cell volume: 2815.34 ± 0.17 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1635
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections: 0.1253
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No