Information card for entry 7034056

Structure parameters

• Formula: C45 H41 F18 Gd N4 O14
• Calculated formula: C45 H41 F18 Gd N4 O14
• SMILES: C(C1=CC(=[O][Gd]23(ON4C(C)(C(N(=O)=C4c4ccc(cc4)C(=O)OC)(C)C)C)(O1)(ON1C(C)(C)C(N(=O)=C1c1ccc(cc1)C(=O)OC)(C)C)([O]=C(C=C(C(F)(F)F)O2)C(F)(F)F)OC(=CC(C(F)(F)F)=[O]3)C(F)(F)F)C(F)(F)F)(F)(F)F
• Title of publication: Three new mononuclear tri-spin lanthanide-nitronyl nitroxide radical compounds: syntheses, structures and magnetic properties.
• Authors of publication: Li, Lei-Lei; Liu, Shuang; Zhang, Yuan; Shi, Wei; Cheng, Peng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 13
• Pages of publication: 6118 - 6125
• a: 24.0143 ± 0.0008 Å
• b: 10.4711 ± 0.0005 Å
• c: 21.5686 ± 0.0007 Å
• α: 90°
• β: 92.242 ± 0.003°
• γ: 90°
• Cell volume: 5419.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No