Information card for entry 4345885

Structure parameters

• Formula: C32 H46 B2 F8 N4 O Pd S2
• Calculated formula: C32 H46 B2 F8 N4 O Pd S2
• 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: 12.4414 ± 0.0003 Å
• b: 22.5034 ± 0.0006 Å
• c: 22.5136 ± 0.0006 Å
• α: 113.418 ± 0.002°
• β: 105.753 ± 0.002°
• γ: 90.132 ± 0.002°
• Cell volume: 5523.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.96 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No