Information card for entry 4311706

Structure parameters

• Formula: C44 H46 Cl2 Cu2 F6 N6 O10
• Calculated formula: C44 H46 Cl2 Cu2 F6 N6 O10
• SMILES: C1c2cccc(C(F)(F)F)[n]2[Cu]23([N]1(Cc1ccccc1)CCc1[n]2cccc1)[O](C)[Cu]12([n]4c(C[N]1(Cc1ccccc1)CCc1[n]2cccc1)cccc4C(F)(F)F)[O]3C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Binuclear Copper(II) Oxidation Products from Copper(I) Complexes with Tridentate Ligands. Magnetostructural Characterization
• Authors of publication: Darío Rojas; Ana María García; Andrés Vega; Yanko Moreno; Diego Venegas-Yazigi; María Teresa Garland; Jorge Manzur
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6324 - 6330
• a: 10.0973 ± 0.0009 Å
• b: 12.8944 ± 0.0011 Å
• c: 18.439 ± 0.0016 Å
• α: 90°
• β: 103.57 ± 0.001°
• γ: 90°
• Cell volume: 2333.7 ± 0.4 ų
• Cell temperature: 571 ± 2 K
• Ambient diffraction temperature: 571 ± 2 K
• Number of distinct elements: 7
• 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: 0.0692
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No