Information card for entry 4324234

Structure parameters

• Common name: (1-Ethyl-4,7-bis(ethylguanidinium)-1,4,7-triazacyclononane)copper(II) perchlorate
• Formula: C14 H33 Cl2 Cu N9 O8
• Calculated formula: C14 H33 Cl2 Cu N9 O8
• SMILES: [Cu]1234[N]5(CC[N]1(CC[N]2(CC5)CC[N]3=C(N)N)CC[N]4=C(N)N)CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Synthesis, Structure, and DNA Cleavage Properties of Copper(II) Complexes of 1,4,7-Triazacyclononane Ligands Featuring Pairs of Guanidine Pendants
• Authors of publication: Linda Tjioe; Tanmaya Joshi; Joël Brugger; Bim Graham; Leone Spiccia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 621 - 635
• a: 16.4966 ± 0.0007 Å
• b: 9.0232 ± 0.0004 Å
• c: 15.8392 ± 0.0006 Å
• α: 90°
• β: 92.891 ± 0.002°
• γ: 90°
• Cell volume: 2354.7 ± 0.17 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: 0.087
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.283
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No