Information card for entry 4301876

Structure parameters

• Formula: C36 H24.5 F12 N4.5 Nd O12 P2
• Calculated formula: C36 H24.5 F12 N4.5 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: 11.916 ± 0.0006 Å
• b: 23.4118 ± 0.0011 Å
• c: 15.6768 ± 0.0007 Å
• α: 90°
• β: 94.698 ± 0.004°
• γ: 90°
• Cell volume: 4358.7 ± 0.4 ų
• Cell temperature: 225 ± 2 K
• Ambient diffraction temperature: 225 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1202
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No