Information card for entry 7111936

Structure parameters

• Formula: C40 H34 F6 N10 O6 S2 Zn
• Calculated formula: C40 H34 F6 N10 O6 S2 Zn
• Title of publication: Self-sorting of dynamic metallosupramolecular libraries (DMLs) via metal-driven selection
• Authors of publication: Istvan Kocsis; Dan Dumitrescu; Yves-Marie Legrand; Arie van der Lee; Ion Grosu; Mihail Barboiu
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 2621
• a: 10.8863 ± 0.0005 Å
• b: 11.9081 ± 0.0006 Å
• c: 17.5294 ± 0.0008 Å
• α: 71.881 ± 0.004°
• β: 87.938 ± 0.004°
• γ: 76.949 ± 0.004°
• Cell volume: 2102.52 ± 0.18 ų
• Cell temperature: 175 K
• Ambient diffraction temperature: 175 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: 0.0556
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections included in the refinement: 0.0451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No