Information card for entry 7101468

Structure parameters

• Common name: (N,N'-bis(2-Hydroxyiminopropionyl) propane-1,3- diamine)(methylsulfoxide)-cuprate(iii))
• Chemical name: {N,N'-bis(2-Hydroxyiminopropionyl) propane-1,3-diamine)(methylsulfoxide)-cuprate(III)}
• Formula: C11 H19 Cu N6 O6 S
• Calculated formula: C11 H19 Cu N6 O6 S
• SMILES: [Cu]123([O]=S(C)C)[N](O)=C(C)C(=O)N1N1COCN(N2C(=O)C(=N3=O)C)C1
• Title of publication: Efficient stabilization of copper(III) in tetraaza pseudo-macrocyclic oxime-and-hydrazide ligands with adjustable cavity size
• Authors of publication: Fritsky, Igor O.; Kozłowski, Henryk; Kanderal, Olga M.; Haukka, Matti; Świątek-Kozłowska, Jolanta; Gumienna-Kontecka, Elżbieta; Meyer, Franc
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2006
• Journal issue: 39
• Pages of publication: 4125 - 4127
• a: 8.144 ± 0.002 Å
• b: 9.362 ± 0.002 Å
• c: 11.394 ± 0.002 Å
• α: 91.83 ± 0.03°
• β: 91.08 ± 0.03°
• γ: 111.53 ± 0.03°
• Cell volume: 807.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No