Information card for entry 4325035

Structure parameters

• Common name: (1-[4-(1,4,7-triazacyclonon-1-yl)-ortho-xylyl]guanidine)copper(II) perchlorate
• Formula: C18 H34 Cl3 Cu N7 O
• Calculated formula: C18 H34 Cl3 Cu N7 O
• SMILES: [Cu]12(Cl)([NH]3CC[NH]1CC[N]2(CC3)Cc1ccccc1CNC(=[NH2+])N)Cl.O=CN(C)C.[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: 17.9182 ± 0.0005 Å
• b: 9.5518 ± 0.0003 Å
• c: 14.73 ± 0.0004 Å
• α: 90°
• β: 107.315 ± 0.001°
• γ: 90°
• Cell volume: 2406.81 ± 0.12 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: 0.0646
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No