Information card for entry 4301875

Structure parameters

• Formula: C35 H23 F12 N4 Nd O12 P2
• Calculated formula: C35 H23 F12 N4 Nd O12 P2
• Title of publication: Synthesis and Coordination Properties of Trifluoromethyl Decorated Derivatives of 2,6-Bis[(diphenylphosphinoyl)methyl]pyridine N-Oxide Ligands with Lanthanide Ions
• Authors of publication: Sylvie Pailloux; Cornel Edicome Shirima; Alisha D. Ray; Eileen N. Duesler; Robert T. Paine; John R. Klaehn; Michael E. McIlwain; Benjamin P. Hay
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 3104 - 3113
• a: 10.1697 ± 0.0004 Å
• b: 18.9472 ± 0.0007 Å
• c: 21.0152 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4049.4 ± 0.3 ų
• Cell temperature: 225 ± 2 K
• Ambient diffraction temperature: 225 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No