Information card for entry 4326791

Structure parameters

• Formula: C29 H34 Cu2 Er N5 O20
• Calculated formula: C29 H34 Cu2 Er N5 O20
• SMILES: [Er]1234567([O]8[Cu]9%10([O]=C(C=C8c8[n]6c(ccc8)C6[O]1[Cu]1([O]=C(C=6)C)([O]=C(C=C([O]21)c1[n]7c(ccc1)C([O]39)=CC(=[O]%10)C)C)[OH]C)C)[OH]C)(ON(=[O]4)=O)ON(=[O]5)=O.O=N(=O)[O-].CO
• Title of publication: Ferromagnetic Exchange Couplings Showing a Chemical Trend in Cu-Ln-Cu Complexes (Ln = Gd, Tb, Dy, Ho, Er)
• Authors of publication: Takashi Shimada; Atsushi Okazawa; Norimichi Kojima; Shunsuke Yoshii; Hiroyuki Nojiri; Takayuki Ishida
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10555 - 10557
• a: 9.628 ± 0.003 Å
• b: 13.661 ± 0.005 Å
• c: 13.975 ± 0.005 Å
• α: 94.867 ± 0.016°
• β: 102.858 ± 0.015°
• γ: 101.758 ± 0.015°
• Cell volume: 1738 ± 1.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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 significantly intense reflections: 0.0436
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No