Information card for entry 4333294

Structure parameters

• Formula: C42 H44 Cu2 F12 N6 O2 P2 S2
• Calculated formula: C42 H44 Cu2 F12 N6 O2 P2 S2
• 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: 15.0794 ± 0.0019 Å
• b: 24.078 ± 0.003 Å
• c: 14.8697 ± 0.0019 Å
• α: 90°
• β: 116.272 ± 0.002°
• γ: 90°
• Cell volume: 4841.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1039
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1946
• Weighted residual factors for all reflections included in the refinement: 0.2126
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No