Information card for entry 4344630

Structure parameters

• Formula: C53 H62 Cl2 N4 O4 Tb
• Calculated formula: C53 H62 Cl2 N4 O4 Tb
• SMILES: [Tb]12345(O[N]3(c3ccccc3c3cccc(c3)c3ccccc3[N]4(O1)C(C)(C)C)C(C)(C)C)O[N]5(c1ccccc1c1cccc(c1)c1ccccc1N(O2)C(C)(C)C)C(C)(C)C.C(Cl)Cl
• 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: 11.4328 ± 0.0004 Å
• b: 18.0611 ± 0.0006 Å
• c: 23.3466 ± 0.0009 Å
• α: 90°
• β: 92.092 ± 0.002°
• γ: 90°
• Cell volume: 4817.6 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 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: 0.0978
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No