Information card for entry 4344629

Structure parameters

• Formula: C63 H87 K N4 O8 Tb
• Calculated formula: C63 H87 K N4 O8 Tb
• SMILES: [Tb]12345O[N]4(c4ccccc4c4cccc(c4)c4ccccc4N([O]1[K]14([O]2N(c2ccccc2c2cccc(c2)c2ccccc2[N]5(O3)C(C)(C)C)C(C)(C)C)([O](CC[O]1C)C)[O](CC[O]4C)C)C(C)(C)C)C(C)(C)C.CCCCCC
• Title of publication: Rare Earth Metal Complexes of Bidentate Nitroxide Ligands: Synthesis and Electrochemistry.
• Authors of publication: Kim, Jee Eon; Bogart, Justin A.; Carroll, Patrick J.; Schelter, Eric J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 775 - 784
• a: 12.804 ± 0.002 Å
• b: 13 ± 0.002 Å
• c: 38.505 ± 0.006 Å
• α: 92.574 ± 0.009°
• β: 95.787 ± 0.009°
• γ: 106.729 ± 0.009°
• Cell volume: 6088.3 ± 1.7 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.1981
• Residual factor for significantly intense reflections: 0.1713
• Weighted residual factors for significantly intense reflections: 0.404
• Weighted residual factors for all reflections included in the refinement: 0.4214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.207
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No