Information card for entry 4325034

Structure parameters

• Common name: (1-[4-(1,4,7-triazacyclonon-1-yl)-para-xylyl]guanidine)copper(II) perchlorate
• Formula: C17 H35 Cl3 Cu N6 O2
• Calculated formula: C17 H35 Cl3 Cu N6 O2
• SMILES: [Cu]12(Cl)([NH]3CC[N]2(CC[NH]1CC3)Cc1ccc(cc1)CNC(=[NH2+])N)Cl.OC.OC.[Cl-]
• Title of publication: Efficient Plasmid DNA Cleavage by Copper(II) Complexes of 1,4,7-Triazacyclononane Ligands Featuring Xylyl-Linked Guanidinium Groups
• Authors of publication: Linda Tjioe; Anja Meininger; Tanmaya Joshi; Leone Spiccia; Bim Graham
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4327 - 4339
• a: 11.8641 ± 0.0005 Å
• b: 7.3579 ± 0.0004 Å
• c: 28.2754 ± 0.0012 Å
• α: 90°
• β: 101.193 ± 0.002°
• γ: 90°
• Cell volume: 2421.3 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No