Information card for entry 4344626

Structure parameters

• Formula: C72 H86 Ce N6 O6
• Calculated formula: C72 H86 Ce N6 O6
• SMILES: [Ce]123456(O[N]3(c3c(c7cc(cc(c7)c7c(N(O)C(C)(C)C)cccc7)c7c([N]4(O1)C(C)(C)C)cccc7)cccc3)C(C)(C)C)O[N]5(c1c(c3cc(cc(c3)c3c(N(O)C(C)(C)C)cccc3)c3c([N]6(O2)C(C)(C)C)cccc3)cccc1)C(C)(C)C
• 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: 11.5266 ± 0.0003 Å
• b: 17.3016 ± 0.0005 Å
• c: 21.0553 ± 0.0006 Å
• α: 93.074 ± 0.002°
• β: 93.705 ± 0.002°
• γ: 98.827 ± 0.002°
• Cell volume: 4132 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1783
• Weighted residual factors for all reflections included in the refinement: 0.1845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No