Information card for entry 7010989

Structure parameters

• Formula: C27 H19 Er F18 N3 O7
• Calculated formula: C27 H19 Er F18 N3 O7
• SMILES: [Er]1234(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)([O]=C(C(F)(F)F)C=C(O3)C(F)(F)F)[N]1=C([N](=O)C(C1(C)C)(C)C)c1[n]4cccc1
• Title of publication: Synthesis, spectroscopic and magnetic properties of lanthanide(III) complexes with a chelated imino nitroxide radical
• Authors of publication: Toshiaki Tsukuda; Takayoshi Suzuki; Sumio Kaizaki
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 8
• Pages of publication: 1721 - 1726
• a: 12.101 ± 0.001 Å
• b: 31.582 ± 0.004 Å
• c: 9.554 ± 0.001 Å
• α: 90°
• β: 98.48 ± 0.01°
• γ: 90°
• Cell volume: 3611.4 ± 0.7 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1449
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No