Information card for entry 7111939

Structure parameters

• Formula: C48 H52 Cu3 F18 N12 O24 S6
• Calculated formula: C48 H52 Cu3 F18 N12 O24 S6
• 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: 12.4851 ± 0.0004 Å
• b: 12.9394 ± 0.0003 Å
• c: 13.0853 ± 0.0005 Å
• α: 111.257 ± 0.003°
• β: 105.181 ± 0.003°
• γ: 103.697 ± 0.003°
• Cell volume: 1767.31 ± 0.13 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: 0.0655
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.0494
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No