Information card for entry 7006028

Structure parameters

• Formula: C21 H19 I N O P Pd
• Calculated formula: C21 H19 I N O P Pd
• SMILES: I[Pd]12[O]=CN(c3cccc(C[P]1(c1ccccc1)c1ccccc1)c23)C
• Title of publication: N,N-Dialkyl-2-iodoanilines: a versatile source for the synthesis of Pd(ii) complexes. Synthesis of novel OCP- and CCN-pincer palladium complexes.
• Authors of publication: Solé, Daniel; Solans, Xavier; Font-Bardia, Mercé
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 38
• Pages of publication: 4286 - 4292
• a: 10.477 ± 0.004 Å
• b: 10.94 ± 0.003 Å
• c: 18.559 ± 0.003 Å
• α: 90°
• β: 106.32 ± 0.02°
• γ: 90°
• Cell volume: 2041.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0366
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.239
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No