Information card for entry 4344628

Structure parameters

• Formula: C63 H87 K N4 O8 Pr
• Calculated formula: C63 H87 K N4 O8 Pr
• 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: 12.7775 ± 0.0005 Å
• b: 13.3437 ± 0.0005 Å
• c: 19.6456 ± 0.0007 Å
• α: 82.354 ± 0.002°
• β: 78.333 ± 0.002°
• γ: 70.19 ± 0.002°
• Cell volume: 3078.7 ± 0.2 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: 0.0388
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No