Information card for entry 4327529

Structure parameters

• Formula: C12 H28 Cu3 N12 O14 S
• Calculated formula: C12 H28 Cu3 N12 O14 S
• Title of publication: Cyclic Trinuclear and Chain of Cyclic Trinuclear Copper(II) Complexes Containing a Pyramidal Cu3O(H) Core. Crystal Structures and Magnetic Properties of [Cu3(μ3-OH)(aaat)3(H2O)3](NO3)2.H2O [aaat = 3-Acetylamino-5-amino-1,2,4-triazolate] and {[Cu3(μ3-OH)(aat)3(μ3-SO4)].6H2O}n [aat = 3-Acetylamino-1,2,4-triazolate]: New Cases of Spin-Frustrated Systems
• Authors of publication: Sacramento Ferrer; Francesc Lloret; Ignacio Bertomeu; Gloria Alzuet; Joaquín Borrás; Santiago García-Granda; Malva Liu-González; Jaap G. Haasnoot
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5821 - 5830
• a: 7.146 ± 0.006 Å
• b: 14.261 ± 0.01 Å
• c: 15.355 ± 0.015 Å
• α: 109 ± 0.09°
• β: 93.65 ± 0.09°
• γ: 99.49 ± 0.07°
• Cell volume: 1448 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.151
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No