Information card for entry 2208867

Structure parameters

• Chemical name: N-(4-Nitrobenzyl)quinolinium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)palladium(III) acetone solvate
• Formula: C25 H19 N2 O3 Pd S10
• Calculated formula: C25 H19 N2 O3 Pd S10
• SMILES: [Pd]12(SC3=C(S1)SC(=S)S3)SC1=C(S2)SC(=S)S1.c1ccc2ccccc2[n+]1Cc1ccc(cc1)N(=O)=O.O=C(C)C
• Title of publication: <i>N</i>-(4-Nitrobenzyl)quinolinium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)palladium(III) acetone solvate
• Authors of publication: Shuang-Quan Zang; Yang Su; Ruo-Jie Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m1002 - m1003
• a: 12.224 ± 0.002 Å
• b: 8.088 ± 0.0016 Å
• c: 32.711 ± 0.006 Å
• α: 90°
• β: 103.015 ± 0.006°
• γ: 90°
• Cell volume: 3151 ± 1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes