Information card for entry 7103579

Structure parameters

• Common name: Cu(Fc-aminotropone)2
• Formula: C38 H36 Cu Fe2 N2 O2
• Calculated formula: C38 H36 Cu Fe2 N2 O2
• SMILES: [c]12(C3=CC=C4C(=[N]([Cu]5(O4)[N](=C4C(O5)=CC=C([c]56[cH]7[cH]8[cH]9[cH]5[Fe]5%10%11%126789[cH]6[cH]5[cH]%11[cH]%10[cH]%126)C=C4)CC)CC)C=C3)[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]7[cH]6[cH]82
• Title of publication: Long-distance ferromagnetic coupling through spin polarization in a linear heterotrinuclear iron(III)-copper(II)-iron(III) complex derived from 5-ferrocenyl-2-aminotropone.
• Authors of publication: Miyake, Yoshihiro; Watanabe, Sayaka; Aono, Satoshi; Nishinaga, Tohru; Miyazaki, Akira; Enoki, Toshiaki; Miyasaka, Hitoshi; Otani, Hiroyuki; Iyoda, Masahiko
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 46
• Pages of publication: 6167 - 6169
• a: 20.359 ± 0.005 Å
• b: 9.756 ± 0.009 Å
• c: 8.232 ± 0.004 Å
• α: 90°
• β: 98.43 ± 0.03°
• γ: 90°
• Cell volume: 1617.4 ± 1.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0958
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.1799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No