Information card for entry 1519477

Structure parameters

• Formula: C27 H45 I N P Pd
• Calculated formula: C27 H45 I N P Pd
• SMILES: C[N]1(C)Cc2ccccc2[Pd]1([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)I
• Title of publication: (Tricyclohexylphosphine)-iodo-(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: 40
• a: 10.5363 ± 0.0002 Å
• b: 15.0361 ± 0.0003 Å
• c: 17.3668 ± 0.0003 Å
• α: 90°
• β: 99.776 ± 0.001°
• γ: 90°
• Cell volume: 2711.38 ± 0.09 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No