Information card for entry 4333101

Structure parameters

• Formula: C24 H20 N O3 P S
• Calculated formula: C24 H20 N O3 P S
• SMILES: S1c2c(OP(Oc3c1c1c(cc3)cccc1)N1CCOCC1)ccc1ccccc21
• Title of publication: Synthesis of Neutral (PdII, PtII), Cationic (PdII), and Water-Induced Anionic (PdII) Complexes Containing New Mesocyclic§Thioether−Aminophosphonite Ligands and Their Application in the Suzuki Cross-Coupling Reaction
• Authors of publication: Punji, Benudhar; Mague, Joel T.; Balakrishna, Maravanji S.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9454 - 9464
• a: 6.9284 ± 0.0007 Å
• b: 9.2195 ± 0.0009 Å
• c: 17.083 ± 0.002 Å
• α: 82.065 ± 0.001°
• β: 85.694 ± 0.001°
• γ: 70.673 ± 0.001°
• Cell volume: 1019.34 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.038
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No