Information card for entry 1519478

Structure parameters

• Formula: C15 H20 F3 N2 O3 Pd
• Calculated formula: C15 H20 F3 N2 O3 Pd
• SMILES: C1COCC[NH]1[Pd]1(c2c(C[N]1(C)C)cccc2)OC(=O)C(F)(F)F
• Title of publication: (Morpholine-N)-trifluoroacetato-O)-(2-((dimethylamino)methyl)phenyl-C,N)- palladium
• Authors of publication: Cazin, C. S. J.; Bedford, R. B.; Hursthouse, Michael B.; Gelbrich, Thomas; Horton, Peter N.; Light, Mark E.; Coles, Simon J.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2002
• Pages of publication: 41
• a: 9.3727 ± 0.0009 Å
• b: 19.144 ± 0.0015 Å
• c: 20.2492 ± 0.0019 Å
• α: 90°
• β: 101.41°
• γ: 90°
• Cell volume: 3561.5 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0682
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.283
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No