Information card for entry 7103984

Structure parameters

• Formula: C39 H39 Cl N O2 P Pd
• Calculated formula: C39 H39 Cl N O2 P Pd
• SMILES: [Pd]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)(Cl)[N](C(Cc2c1cccc2)C(=O)OCC)=Cc1c(C)cc(C)cc1C
• Title of publication: The first NH aldimine organometallic compound. Isolation and crystal structure
• Authors of publication: Albert, Joan; Cadena, J. Magali; González, Asensio; Granell, Jaume; Solans, Xavier; Font-Bardia, Mercè
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 4
• Pages of publication: 528 - 529
• a: 10.975 ± 0.001 Å
• b: 11.046 ± 0.001 Å
• c: 15.175 ± 0.001 Å
• α: 75.405 ± 0.001°
• β: 80.858 ± 0.001°
• γ: 82.368 ± 0.001°
• Cell volume: 1749.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No