Information card for entry 4348195

Structure parameters

• Formula: C25 H19 F18 Gd N O8
• Calculated formula: C25 H19 F18 Gd N O8
• SMILES: [Gd]123(ON(c4ccccc4)C(C)(C)C)([OH2])(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O2)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: 12.6 ± 0.004 Å
• b: 16.415 ± 0.005 Å
• c: 17.768 ± 0.005 Å
• α: 67.165 ± 0.01°
• β: 78.935 ± 0.011°
• γ: 80.124 ± 0.011°
• Cell volume: 3304.8 ± 1.7 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: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No