Information card for entry 7013633

Structure parameters

• Formula: C34 H24 Cl6 N O2 P Pd
• Calculated formula: C34 H24 Cl6 N O2 P Pd
• SMILES: [Pd]12(c3cccc4c3c3[n]1cccc3cc4)[P](c1ccccc1)(c1c(C(=O)O2)cccc1)c1ccccc1.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Synthesis and characterisation of cyclometallated palladium(II) complexes with phosphine‒carboxylate and phosphine‒amide ligands
• Authors of publication: Gregorio Sánchez; Joaquín García; David Meseguer; José L. Serrano; Luis García; José Pérez; Gregorio López
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 24
• Pages of publication: 4709 - 4717
• a: 8.7881 ± 0.0007 Å
• b: 10.5776 ± 0.0008 Å
• c: 17.93 ± 0.0014 Å
• α: 95.713 ± 0.001°
• β: 99.574 ± 0.001°
• γ: 95.302 ± 0.001°
• Cell volume: 1625.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0631
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 0.876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No