Information card for entry 7102033

Structure parameters

• Formula: C14 H32 Cu F6 N6 O7 S2
• Calculated formula: C14 H32 Cu F6 N6 O7 S2
• SMILES: C1C[NH]2[Cu]345([NH]1CC[NH]3CC2)[NH]1CC[NH]4CC[NH]5CC1.C(F)(F)(F)S(=O)(=O)[O-].O.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: A novel class of metal-directed supramolecular DNA-delivery systems.
• Authors of publication: Cruz-Campa, Itzia; Arzola, Alejandro; Santiago, Lynn; Parsons, Jason G; Varela-Ramirez, Armando; Aguilera, Renato J; Noveron, Juan C
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 28
• Pages of publication: 2944 - 2946
• a: 9.4428 ± 0.0002 Å
• b: 9.4428 ± 0.0002 Å
• c: 24.7664 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1912.47 ± 0.08 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No