Information card for entry 1519455

Structure parameters

• Formula: C56 H50 Cl2 O4 P2 Pd
• Calculated formula: C56 H50 Cl2 O4 P2 Pd
• SMILES: [Pd](Cl)(Cl)([P](c1ccccc1)(c1ccccc1)c1ccc(cc1)C(=O)OCc1ccc(cc1)CC)[P](c1ccc(cc1)C(=O)OCc1ccc(cc1)CC)(c1ccccc1)c1ccccc1
• Title of publication: Pd-complex driven formation of single-chain nanoparticles
• Authors of publication: Willenbacher, Johannes; Altintas, Ozcan; Trouillet, Vanessa; Knöfel, Nicolai; Monteiro, Michael J.; Roesky, Peter W.; Barner-Kowollik, Christopher
• Journal of publication: Polym. Chem.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 24
• Pages of publication: 4358
• a: 10.118 ± 0.002 Å
• b: 14.622 ± 0.003 Å
• c: 17.316 ± 0.004 Å
• α: 89.46 ± 0.03°
• β: 87.53 ± 0.03°
• γ: 73.09 ± 0.03°
• Cell volume: 2448.8 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 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: 0.0556
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No