Information card for entry 1514731

Structure parameters

• Formula: C35 H33 B2 F8 N2 P Pt S2
• Calculated formula: C35 H33 B2 F8 N2 P Pt S2
• SMILES: [Pt]12([S](c3ccccc3)CC[P]1(c1ccccc1)c1ccccc1)[S](CN1C=2N(C)c2ccccc12)c1ccccc1.[B](F)(F)(F)[F-].[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: 10.295 ± 0.0003 Å
• b: 9.8283 ± 0.0003 Å
• c: 34.0318 ± 0.0011 Å
• α: 90°
• β: 94.67 ± 0.001°
• γ: 90°
• Cell volume: 3431.99 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.95 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: 0.0398
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.285
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No