Information card for entry 4327977

Structure parameters

• Common name: (1-(3-Guanidinopropyl)-1,4,7-triazacyclononane)copper(II)perchlorate
• Formula: C21 H54 Cl6 Cu2 N12 O
• Calculated formula: C21 H54 Cl6 Cu2 N12 O
• SMILES: OC.[Cu]12(Cl)(Cl)[NH]3CC[N]2(CC[NH]1CC3)CCCNC(=[NH2+])N.[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: 11.7286 ± 0.0009 Å
• b: 23.2621 ± 0.0019 Å
• c: 13.0701 ± 0.0011 Å
• α: 90°
• β: 92.504 ± 0.002°
• γ: 90°
• Cell volume: 3562.5 ± 0.5 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: 0.0421
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No