Information card for entry 4103552

Structure parameters

• Formula: C54 H66 Cl2 Na2 O14 P2 Pd2 S2
• Calculated formula: C54 H66 Cl2 Na2 O14 P2 Pd2 S2
• SMILES: [Pd]1(C)(Cl)[O]2S(=O)(c3c([P]1(c1c(OC)cccc1)c1c(OC)cccc1)cccc3)=[O][Na]([O]=C(C)C)([O]=C(C)C)[O]([Pd]1(C)Cl)S(=O)(c3c([P]1(c1c(OC)cccc1)c1c(OC)cccc1)cccc3)=[O][Na]2([O]=C(C)C)[O]=C(C)C
• Title of publication: Reactivity of Methacrylates in Insertion Polymerization
• Authors of publication: Thomas Rünzi; Damien Guironnet; Inigo Göttker-Schnetmann; Stefan Mecking
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 16623 - 16630
• a: 14.6257 ± 0.0008 Å
• b: 11.8318 ± 0.0004 Å
• c: 17.3191 ± 0.0009 Å
• α: 90°
• β: 98.201 ± 0.004°
• γ: 90°
• Cell volume: 2966.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No