Information card for entry 1519489

Structure parameters

• Formula: C29 H45 F3 N O2 P Pd
• Calculated formula: C29 H45 F3 N O2 P Pd
• SMILES: C[N]1(C)Cc2ccccc2[Pd]1(OC(=O)C(F)(F)F)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: (Tricyclohexylphosphine)-(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: 37
• a: 14.7341 ± 0.0002 Å
• b: 11.2352 ± 0.0002 Å
• c: 19.3377 ± 0.0003 Å
• α: 90°
• β: 111.878 ± 0.001°
• γ: 90°
• Cell volume: 2970.62 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0322
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No