Information card for entry 4314798

Structure parameters

• Formula: C36 H38 Cl4 P2 Pt S Se
• Calculated formula: C36 H38 Cl4 P2 Pt S Se
• SMILES: [Pd]1([Se](C)CC[P]1(c1ccccc1)c1ccccc1)(Cl)[P](c1ccccc1)(c1ccccc1)CCSc1ccccc1.[Cl-].ClCCl
• Title of publication: Selective Formation of Heteroligated Pt(II) Complexes with Bidentate Phosphine-Thioether (P,S) and Phosphine-Selenoether (P,Se) Ligands via the Halide-Induced Ligand Rearrangement Reaction
• Authors of publication: Alexander M. Spokoyny; Mari S. Rosen; Pirmin A. Ulmann; Charlotte Stern; Chad A. Mirkin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1577 - 1586
• a: 9.7594 ± 0.0004 Å
• b: 11.497 ± 0.0005 Å
• c: 16.6076 ± 0.0006 Å
• α: 83.721 ± 0.002°
• β: 86.262 ± 0.002°
• γ: 85.68 ± 0.002°
• Cell volume: 1843.94 ± 0.13 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: 0.0509
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No