Information card for entry 7102614

Structure parameters

• Formula: C54 H60 Gd N7 Ni2 O13
• Calculated formula: C54 H48 Gd N7 Ni2 O13
• SMILES: [Gd]23567([O]([Ni]894%11%10)c1c(C=[N]4CC(C)(C[N]%11=Cc4c([O]28)cccc4)C[N]%10=Cc2c([O]39)cccc2)cccc1)([O]([Ni]12389)c4c(C=[N]3CC(C)(C[N]8=Cc3c([O]51)cccc3)C[N]9=Cc1c([O]62)cccc1)cccc4)[O]=N(O7)=O.OC.OC.O.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: 13.2245 ± 0.0005 Å
• b: 13.8535 ± 0.0004 Å
• c: 16.4979 ± 0.0005 Å
• α: 90.29 ± 0.002°
• β: 104.022 ± 0.002°
• γ: 111.761 ± 0.001°
• Cell volume: 2708.3 ± 0.2 ų
• Cell temperature: 296.1 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: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No