Information card for entry 4329596

Structure parameters

• Formula: C56 H46 As3 Cl4 I3 Pt3 S3
• Calculated formula: C56 H46 As3 Cl4 I3 Pt3 S3
• SMILES: [Pt]12(I)[As](c3c([S]1[Pt]1(I)[As](c4c([S]1[Pt]1(I)[As](c5c([S]21)cccc5)(c1ccccc1)c1ccccc1)cccc4)(c1ccccc1)c1ccccc1)cccc3)(c1ccccc1)c1ccccc1.ClCCl.ClCCl
• Title of publication: Heteropolytopic Arsanylarylthiolato Ligands: Cis-Trans Isomerism of Nickel(II), Palladium(II), and Platinum(II) Complexes of 1-AsPh2-2-SHC6H4
• Authors of publication: Alexandra Hildebrand; Imola Sárosi; Peter Lönnecke; Luminiţa Silaghi-Dumitrescu; Menyhárt B. Sárosi; Ioan Silaghi-Dumitrescu; Evamarie Hey-Hawkins
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7125 - 7133
• a: 23.988 ± 0.0018 Å
• b: 11.4987 ± 0.0009 Å
• c: 24.0999 ± 0.0019 Å
• α: 90°
• β: 112.635 ± 0.001°
• γ: 90°
• Cell volume: 6135.5 ± 0.8 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 7
• 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: 0.0835
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No