Information card for entry 4327978

Structure parameters

• Formula: C10 H29 Cl4 Cu3 N15 O24
• Calculated formula: C10 H29 Cl4 Cu3 N15 O24
• SMILES: [Cu]123([n]4n5[Cu]6([OH2])([OH]1[Cu]([OH2])([n]1[n]3c([nH]c1N)N)[n]1[n]6c([nH]c1N)N)[O]=C(Nc5nc4NC(=[O]2)C)C)[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O
• Title of publication: Antisymmetric Exchange in Triangular Tricopper(II) Complexes: Correlation among Structural, Magnetic, and Electron Paramagnetic Resonance Parameters
• Authors of publication: Sacramento Ferrer; Francesc Lloret; Emilio Pardo; Juan Modesto Clemente-Juan; Malva Liu-González; Santiago García-Granda
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 985 - 1001
• a: 11.826 ± 0.005 Å
• b: 16.272 ± 0.005 Å
• c: 18.321 ± 0.005 Å
• α: 90°
• β: 92.86 ± 0.05°
• γ: 90°
• Cell volume: 3521 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1065
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No