Information card for entry 4301878

Structure parameters

• Formula: C35 H23 F12 N O2 P2
• Calculated formula: C35 H23 F12 N O2 P2
• SMILES: P(=O)(Cc1nc(ccc1)CP(=O)(c1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F)(c1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F
• 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: 18.0813 ± 0.0019 Å
• b: 9.4524 ± 0.001 Å
• c: 19.956 ± 0.002 Å
• α: 90°
• β: 103.949 ± 0.005°
• γ: 90°
• Cell volume: 3310.1 ± 0.6 ų
• Cell temperature: 228 ± 2 K
• Ambient diffraction temperature: 228 ± 2 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: 0.0653
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No