Information card for entry 7002172

Structure parameters

• Formula: C22 H12 F12 N O P
• Calculated formula: C22 H12 F12 N O P
• Title of publication: Synthesis and lanthanide coordination chemistry of trifluoromethyl derivatives of phosphinoylmethyl pyridine N-oxides
• Authors of publication: Pailloux, Sylvie; Shirima, Cornel Edicome; Ray, Alisha D.; Duesler, Eileen N.; Smith, Karen Ann; Paine, Robert T.; Klaehn, John R.; McIlwain, Michael E.; Hay, Benjamin P.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 36
• Pages of publication: 7486 - 7493
• a: 11.6362 ± 0.0012 Å
• b: 19.362 ± 0.003 Å
• c: 10.685 ± 0.0013 Å
• α: 90°
• β: 104.192 ± 0.006°
• γ: 90°
• Cell volume: 2333.9 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• 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: 0.0687
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.197
• Weighted residual factors for all reflections included in the refinement: 0.2327
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No