Information card for entry 1515342

Structure parameters

• Formula: C15 H15 Cl2 N4 O0.5 Pd S0.5
• Calculated formula: C15 H15 Cl2 N4 O0.5 Pd S0.5
• SMILES: Cc1ccc(cc1)n1n[n]2c(c1)c1[n]([Pd]2(Cl)Cl)cccc1.CS(=O)C
• Title of publication: Palladium-containing polymers via a combination of RAFT and triazole chemistry
• Authors of publication: Lang, Christiane; Kiefer, Claude; Lejeune, Elise; Goldmann, Anja S.; Breher, Frank; Roesky, Peter W.; Barner-Kowollik, Christopher
• Journal of publication: Polymer Chemistry
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 9
• Pages of publication: 2413
• a: 9.907 ± 0.002 Å
• b: 10.194 ± 0.002 Å
• c: 19.177 ± 0.004 Å
• α: 79.28 ± 0.03°
• β: 76.22 ± 0.03°
• γ: 62.5 ± 0.03°
• Cell volume: 1661.9 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0805
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1856
• Weighted residual factors for all reflections included in the refinement: 0.195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No