Information card for entry 1508652

Structure parameters

• Formula: C36 H30 Cl4 P2 Pd Sn
• Calculated formula: C36 H30 Cl4 P2 Pd Sn
• SMILES: c1([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)(Cl)[Sn](Cl)(Cl)Cl)ccccc1
• Title of publication: Heterobimetallic Pd-Sn catalysis: a Suzuki, tandem ring-closing sequence toward indeno[2,1-b]thiophenes and indeno[2,1-b]indoles
• Authors of publication: Das, Debjit; Pratihar, Sanjay; Roy, Sujit
• Journal of publication: Organic Letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 4870 - 4873
• a: 12.9195 ± 0.0007 Å
• b: 16.8233 ± 0.0009 Å
• c: 18.7031 ± 0.0011 Å
• α: 90°
• β: 119.854 ± 0.004°
• γ: 90°
• Cell volume: 3525.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0845
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.1934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.327
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No