Information card for entry 4345853

Structure parameters

• Formula: C30 H40 B2 F8 N4 Pd S2
• Calculated formula: C30 H40 B2 F8 N4 Pd S2
• SMILES: [Pd]12([S](c3ccccc3)CCN3C=1N(C=C3)C(C)(C)C)[S](c1ccccc1)CCN1C=2N(C=C1)C(C)(C)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Palladium(II) Weak-Link Approach Complexes Bearing Hemilabile N-Heterocyclic Carbene-Thioether Ligands.
• Authors of publication: Liu, Yuan; Kean, Zachary S.; d'Aquino, Andrea I; Manraj, Yashin D.; Mendez-Arroyo, Jose; Mirkin, Chad A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 5902 - 5910
• a: 12.558 ± 0.008 Å
• b: 12.607 ± 0.008 Å
• c: 22.224 ± 0.014 Å
• α: 90°
• β: 103.499 ± 0.007°
• γ: 90°
• Cell volume: 3421 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.97 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No