Information card for entry 7015630

Structure parameters

• Formula: C28 H24 B2 Cl2 F8 N6 P2 Pd Pt S2
• Calculated formula: C28 H24 B2 Cl2 F8 N6 P2 Pd Pt S2
• SMILES: c1ccc(cc1)[P]1(c2ccccc2)NC2=[N]3[N](=CS2)[Pd]([N]2=CSC4N[P](c5ccccc5)(c5ccccc5)[Pt]13[N]2=4)(Cl)Cl.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Chelating or bridging Pd(ii) and Pt(ii) metalloligands from the functional phosphine ligand N-(diphenylphosphino)-1,3,4-thiadiazol-2-amine. New heterometallic Pd(ii)/Pt(ii) and Pt(ii)/Au(i) complexes.
• Authors of publication: Zhang, Shuanming; Pattacini, Roberto; Braunstein, Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 21
• Pages of publication: 5711 - 5719
• a: 14.5753 ± 0.0008 Å
• b: 13.1508 ± 0.0008 Å
• c: 21.3008 ± 0.0009 Å
• α: 90°
• β: 92.351 ± 0.003°
• γ: 90°
• Cell volume: 4079.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 10
• 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: 0.1094
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1725
• Weighted residual factors for all reflections included in the refinement: 0.1905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No