Information card for entry 4333295

Structure parameters

• Formula: C40 H40 Cu2 F12 N6 O2 P2
• Calculated formula: C40 H40 Cu2 F12 N6 O2 P2
• SMILES: [Cu]1234[n]5c(cccc5)C[N]3(Cc3cccc[n]23)Cc2c([O]4[Cu]345[n]6ccccc6C[N]4(Cc4[n]3cccc4)Cc3c([O]15)ccc(c3)C)ccc(c2)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Copper(II) Complexes with New Polypodal Ligands Presenting Axial−Equatorial Phenoxo Bridges {2-[(Bis(2-pyridylmethyl)amino)methyl]-4-methylphenol, 2-[(Bis(2-pyridylmethyl)amino)methyl]-4-methyl-6-(methylthio)phenol}: Examples of Ferromagnetically Coupled Bi- and Trinuclear Copper(II) Complexes
• Authors of publication: Manzur, Jorge; Mora, Hector; Vega, Andrés; Spodine, Evgenia; Venegas-Yazigi, Diego; Garland, María Teresa; El Fallah, M. Salah; Escuer, Albert
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 6924 - 6932
• a: 11.2421 ± 0.0013 Å
• b: 16.7619 ± 0.0019 Å
• c: 11.9655 ± 0.0014 Å
• α: 90°
• β: 107.422 ± 0.002°
• γ: 90°
• Cell volume: 2151.3 ± 0.4 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No