Information card for entry 7102613

Structure parameters

• Formula: C40 H40 F12 Gd N3 Ni O10
• Calculated formula: C40 H32 F12 Gd N3 Ni O10
• SMILES: [Gd]2345(OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F)([O]([Ni]46789)c1c(C=[N]7CC(C)(C[N]8=Cc7c([O]24)cccc7)C[N]9=Cc2c([O]36)cccc2)cccc1)([O]=C(C(F)(F)F)C=C(O5)C(F)(F)F)[OH]CC.OCC.O
• Title of publication: Ferromagnetic NiII-GdIII interactions in complexes with NiGd, NiGdNi, and NiGdGdNi cores supported by tripodal ligands.
• Authors of publication: Yamaguchi, Tomoka; Sunatsuki, Yukinari; Kojima, Masaaki; Akashi, Haruo; Tsuchimoto, Masanobu; Re, Nazzareno; Osa, Shutaro; Matsumoto, Naohide
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 9
• Pages of publication: 1048 - 1049
• a: 13.027 ± 0.001 Å
• b: 13.346 ± 0.001 Å
• c: 15.242 ± 0.001 Å
• α: 95.1 ± 0.005°
• β: 115.364 ± 0.002°
• γ: 91.537 ± 0.006°
• Cell volume: 2378.8 ± 0.3 ų
• Cell temperature: 223.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.25
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No