Information card for entry 4104670

Structure parameters

• Formula: C16 H23 B10 Cl Pd S2
• Calculated formula: C16 H23 B10 Cl Pd S2
• SMILES: [Pd]12(Cl)[S](C[C]3456[B]7892[C]2%10%11(C[S]1c1ccccc1)[BH]137[BH]374[BH]4%125[BH]568[BH]68%12[BH]%1274[BH]213[BH]%118%12[BH]9%1056)c1ccccc1
• Title of publication: Carborane-Based Pincers: Synthesis and Structure of SeBSe and SBS Pd(II) Complexes
• Authors of publication: Alexander M. Spokoyny; Matthew G. Reuter; Charlotte L. Stern; Mark A. Ratner; Tamar Seideman; Chad A. Mirkin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 9482 - 9483
• a: 10.4063 ± 0.0004 Å
• b: 15.4367 ± 0.0005 Å
• c: 27.923 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4485.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.239
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No