Information card for entry 1519454

Structure parameters

• Formula: C54 H46 Cl2 O4 P2 Pd
• Calculated formula: C54 H46 Cl2 O4 P2 Pd
• SMILES: [Pd](Cl)(Cl)([P](c1ccccc1)(c1ccccc1)c1ccc(cc1)C(=O)OCc1ccc(cc1)C)[P](c1ccccc1)(c1ccccc1)c1ccc(cc1)C(=O)OCc1ccc(cc1)C
• 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: 9.5159 ± 0.0019 Å
• b: 9.961 ± 0.002 Å
• c: 14.355 ± 0.003 Å
• α: 72.77 ± 0.03°
• β: 70.85 ± 0.03°
• γ: 66.35 ± 0.03°
• Cell volume: 1155.9 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200.15 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: 0.0421
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No