Information card for entry 4333103

Structure parameters

• Formula: C48 H40 Cl2 N2 O6 P2 Pt S2
• Calculated formula: C48 H40 Cl2 N2 O6 P2 Pt S2
• SMILES: [Pt](Cl)(Cl)([P]1(Oc2c(Sc3c(O1)ccc1c3cccc1)c1ccccc1cc2)N1CCOCC1)[P]1(Oc2c(Sc3c(O1)ccc1c3cccc1)c1ccccc1cc2)N1CCOCC1
• 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: 12.735 ± 0.003 Å
• b: 9.856 ± 0.002 Å
• c: 35.707 ± 0.008 Å
• α: 90°
• β: 94.646 ± 0.003°
• γ: 90°
• Cell volume: 4467.1 ± 1.7 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: 0.1612
• Residual factor for significantly intense reflections: 0.1064
• Weighted residual factors for significantly intense reflections: 0.2233
• Weighted residual factors for all reflections included in the refinement: 0.2419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No