Information card for entry 7006366

Structure parameters

• Common name: Bis-(pyridine-2-thiolato)-(mu!2$-pyridine-2-thiolato-N,S)- (mu!2$-pyridine-2-thiolato-S,S)-(mu!2$-bis(diphenylphosphino)-methane)- di-palladium(ii)
• Formula: C45 H38 N4 P2 Pd2 S4
• Calculated formula: C45 H38 N4 P2 Pd2 S4
• SMILES: [Pd]12([S](c3ncccc3)[Pd]([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(Sc1ncccc1)[n]1c(S2)cccc1)Sc1ncccc1
• Title of publication: Pyridine-2-thionate as a versatile ligand in Pd(II) and Pt(II) chemistry: the presence of three different co-ordination modes in [Pd2(micro2-S,N-C5H4SN)(micro2-kappa2S-C5H4SN)(micro2-dppm)(S-C5H4SN)2].
• Authors of publication: Mendía, Aránzazu; Cerrada, Elena; Arnáiz, Francisco J; Laguna, Mariano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 4
• Pages of publication: 609 - 616
• a: 20.508 ± 0.004 Å
• b: 9.0092 ± 0.0018 Å
• c: 25.545 ± 0.005 Å
• α: 90°
• β: 112.66 ± 0.03°
• γ: 90°
• Cell volume: 4355.4 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0966
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No