Information card for entry 7056513

Structure parameters

• Formula: C18 H25 Cu F6 N5 O6 S2
• Calculated formula: C18 H25 Cu F6 N5 O6 S2
• SMILES: [Cu]12([NH]3CC[NH]1CC[NH]2CC3)([n]1ccccc1)[n]1ccccc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Self-assembly of a novel Cu (II) co-ordination complex forms metallo-vesicles that are able to transfect mammalian cells
• Authors of publication: Pal, Sarit; Islam, Md Tariqul; Moore, James T.; Reyes, Jesus; Pardo, Andrew; Varela-Ramirez, Armando; Noveron, Juan
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 19
• Pages of publication: 11230 - 11237
• a: 9.0434 ± 0.0001 Å
• b: 23.9537 ± 0.0005 Å
• c: 12.3526 ± 0.0002 Å
• α: 90°
• β: 102.996 ± 0.0012°
• γ: 90°
• Cell volume: 2607.32 ± 0.08 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No