Information card for entry 7006367

Structure parameters

• Common name: Tris-(mu!2$-pyridine-2-thiolato-N,S)-(mu!2$- bis(diphenylphosphino) -methane)-di-palladium(ii)-chloride dichloromethane water solvate
• Chemical name: Tris-(mu!2$-pyridine-2-thiolato-N,S)-(mu!2$-bis(diphenylphosphino) -methane)-di-palladium(ii)-chloride dichloromethane water solvate
• Formula: C41 H38 Cl3 N3 O P2 Pd2 S3
• Calculated formula: C41 H38 Cl3 N3 O P2 Pd2 S3
• 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: 17.593 ± 0.004 Å
• b: 16.091 ± 0.003 Å
• c: 32.38 ± 0.007 Å
• α: 90°
• β: 93.58 ± 0.03°
• γ: 90°
• Cell volume: 9149 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No