Information card for entry 7019191

Structure parameters

• Formula: C57 H42 Cl6 I3 P3 Pt3 S3
• Calculated formula: C57 H42 Cl6 I3 P3 Pt3 S3
• SMILES: [Pt]12(I)[S]([Pt]3(I)[S]([Pt]4(I)[S]1c1c([P]54c4c(cccc4)c4c5cccc4)cccc1)c1c([P]43c3c(cccc3)c3c4cccc3)cccc1)c1c([P]32c2c(cccc2)c2c3cccc2)cccc1.ClCCl.ClCCl.ClCCl
• Title of publication: Heteropolytopic phosphanylarylthiolato ligands: formation of cis isomers of nickel(ii), palladium(ii) and platinum(ii) complexes with 1-P(Biph)-2-SHC(6)H(4) (Biph = 1,1'-biphenyl-2,2'-diyl).
• Authors of publication: Hildebrand, Alexandra; Sárosi, Imola; Lönnecke, Peter; Silaghi-Dumitrescu, Luminiţa; Sárosi, Menyhárt B; Silaghi-Dumitrescu, Ioan; Hey-Hawkins, Evamarie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 25
• Pages of publication: 7729 - 7736
• a: 14.3684 ± 0.0014 Å
• b: 15.6461 ± 0.0015 Å
• c: 16.5751 ± 0.0016 Å
• α: 92.43 ± 0.012°
• β: 110.037 ± 0.011°
• γ: 115.556 ± 0.011°
• Cell volume: 3077.6 ± 0.7 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No