Information card for entry 4314794

Structure parameters

• Formula: C36 H38 B2 Cl2 F8 P2 Pt Se2
• Calculated formula: C36 H38 B2 Cl2 F8 P2 Pt Se2
• SMILES: [Pd]12([Se](c3ccccc3)CC[P]1(c1ccccc1)c1ccccc1)[Se](CC[P]2(c1ccccc1)c1ccccc1)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].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: 37.7059 ± 0.0006 Å
• b: 13.629 ± 0.0002 Å
• c: 17.2281 ± 0.0003 Å
• α: 90°
• β: 115.788 ± 0.001°
• γ: 90°
• Cell volume: 7971.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No