Information card for entry 1514730

Structure parameters

• Formula: C35 H33 B Cl F4 N2 P Pt S2
• Calculated formula: C35 H33 B Cl F4 N2 P Pt S2
• SMILES: [Pt]1(Cl)([S](CC[P]1(c1ccccc1)c1ccccc1)c1ccccc1)=C1N(C)c2ccccc2N1CSc1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: Heteroligated PtII Weak-Link Approach complexes using hemilabile N-heterocyclic carbene‒thioether and phosphino‒thioether ligands
• Authors of publication: Rosen, Mari S.; Stern, Charlotte L.; Mirkin, Chad A.
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 11
• Pages of publication: 4193
• a: 9.4153 ± 0.0005 Å
• b: 12.0408 ± 0.0007 Å
• c: 16.6958 ± 0.001 Å
• α: 102.425 ± 0.003°
• β: 100.136 ± 0.003°
• γ: 104.304 ± 0.002°
• Cell volume: 1737.82 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No