Information card for entry 7200515

Structure parameters

• Formula: C38 H34 Cl2 O4 P2 Pd S2
• Calculated formula: C38 H34 Cl2 O4 P2 Pd S2
• SMILES: c1(ccccc1)[P]([Pd]([P](C[C@H]1COc2cscc2O1)(c1ccccc1)c1ccccc1)(Cl)Cl)(C[C@@H]1COc2cscc2O1)c1ccccc1
• Title of publication: Synthesis and characterization of monomeric and polymeric Pd(II) and Pt(II) complexes of 3,4-ethylenedioxythiophene-functionalized phosphine ligands
• Authors of publication: Velauthamurty, Kuhamoorthy; Higgins, Simon J.; Rajapakse, R. M. Gamini; Bacsa, John; van Zalinge, Harm; Nichols, Richard J.; Haiss, Wolfgang
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2009
• Journal volume: 19
• Journal issue: 13
• Pages of publication: 1850
• a: 9.244 ± 0.005 Å
• b: 10.182 ± 0.005 Å
• c: 10.679 ± 0.006 Å
• α: 107.001 ± 0.008°
• β: 96.758 ± 0.009°
• γ: 106.538 ± 0.008°
• Cell volume: 899 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0537
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No