Information card for entry 7006368

Structure parameters

• Formula: C36 H34 N2 P2 Pt S2
• Calculated formula: C36 H34 N2 P2 Pt S2
• SMILES: [P](c1ccccc1)(c1ccccc1)([Pt]([P](C)(c1ccccc1)c1ccccc1)(Sc1ccccn1)Sc1ccccn1)C
• 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: 8.8507 ± 0.0018 Å
• b: 12.027 ± 0.002 Å
• c: 15.874 ± 0.003 Å
• α: 90°
• β: 102.75 ± 0.03°
• γ: 90°
• Cell volume: 1648.1 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.0494
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No