Information card for entry 4348193

Structure parameters

• Formula: C26 H21 F18 Gd N O8
• Calculated formula: C26 H21 F18 Gd N O8
• SMILES: [Gd]123(ON(c4cccc(c4)C)C(C)(C)C)([OH2])(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F
• Title of publication: Strongest Ferromagnetic Coupling in Designed Gadolinium(III)-Nitroxide Coordination Compounds.
• Authors of publication: Kanetomo, Takuya; Yoshitake, Toru; Ishida, Takayuki
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 16
• Pages of publication: 8140 - 8146
• a: 12.237 ± 0.003 Å
• b: 17.603 ± 0.004 Å
• c: 18.068 ± 0.004 Å
• α: 63.374 ± 0.009°
• β: 84.751 ± 0.01°
• γ: 80.344 ± 0.01°
• Cell volume: 3429.4 ± 1.4 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: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No