Information card for entry 4326017

Structure parameters

• Formula: C15 H15 F6 K N2 O
• Calculated formula: C15 H15 F6 K N2 O
• Title of publication: Assessment of the Electronic Structure of 2,2'-Pyridylpyrrolides as Ligands
• Authors of publication: Jaime A. Flores; José G. Andino; Nikolay P. Tsvetkov; Maren Pink; Robert J. Wolfe; Ashley R. Head; Dennis L. Lichtenberger; Joseph Massa; Kenneth G. Caulton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 8121 - 8131
• a: 12.2946 ± 0.0013 Å
• b: 15.6385 ± 0.0015 Å
• c: 18.03 ± 0.003 Å
• α: 90°
• β: 91.692 ± 0.002°
• γ: 90°
• Cell volume: 3465.1 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No