Information card for entry 7013632

Structure parameters

• Formula: C30 H24 N O3 P Pd
• Calculated formula: C30 H24 N O3 P Pd
• SMILES: [Pd]12(c3ccccc3c3[n]2cccc3)[P](c2ccccc2)(c2c(C(=O)O1)cccc2)c1ccccc1.O
• 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: 9.379 ± 0.0005 Å
• b: 11.1515 ± 0.0007 Å
• c: 13.0729 ± 0.0006 Å
• α: 86.12 ± 0.01°
• β: 73.47 ± 0.01°
• γ: 74.78 ± 0.01°
• Cell volume: 1264.77 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No