Information card for entry 7103578

Structure parameters

• Common name: Cu(Fc±aminotropone)2
• Formula: C40 H40 Cl2 Cu F12 Fe2 N2 O2 P2
• Calculated formula: C40 H40 Cl2 Cu F12 Fe2 N2 O2 P2
• SMILES: [N]1([Cu]2(OC3C=1C=CC([c]14[Fe]56789%10%11([cH]1[cH]5[cH]6[cH]47)[cH]1[cH]%11[cH]%10[cH]9[cH]81)=CC=3)[N](=C1C(O2)=CC=C([c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[cH]2[cH]%10[cH]9[cH]8[cH]72)C=C1)CC)CC.[P](F)(F)(F)(F)(F)[F-].ClCCCl.[P](F)(F)(F)(F)(F)[F-]
• 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: 10.197 ± 0.01 Å
• b: 10.402 ± 0.016 Å
• c: 10.513 ± 0.01 Å
• α: 84.5 ± 0.08°
• β: 68.16 ± 0.07°
• γ: 84.28 ± 0.08°
• Cell volume: 1028 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1027
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No