Information card for entry 4327975

Structure parameters

• Common name: (1-(4-Guanidinobutyl)-1,4,7-triazacyclononane)copper(II)perchlorate
• Formula: C11 H27 Cl3 Cu N6
• Calculated formula: C11 H27 Cl3 Cu N6
• SMILES: [Cu]12(Cl)([NH]3CC[N]2(CC[NH]1CC3)CCCCNC(=[NH2+])N)Cl.[Cl-]
• Title of publication: Phosphodiester Cleavage Properties of Copper(II) Complexes of 1,4,7-Triazacyclononane Ligands Bearing Single Alkyl Guanidine Pendants
• Authors of publication: Linda Tjioe; Tanmaya Joshi; Craig M. Forsyth; Boujemaa Moubaraki; Keith S. Murray; Joël Brugger; Bim Graham; Leone Spiccia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 939 - 953
• a: 13.418 ± 0.002 Å
• b: 7.4563 ± 0.0015 Å
• c: 17.265 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1727.3 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No