Information card for entry 2206934

Structure parameters

• Chemical name: 1-(4-bromobenzyl)pyridinium bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^S,S')platinate(III)
• Formula: C20 H11 Br N5 Pt S4
• Calculated formula: C20 H11 Br N5 Pt S4
• SMILES: [Pt]12(SC(=C(S2)C#N)C#N)SC(C#N)=C(S1)C#N.Brc1ccc(C[n+]2ccccc2)cc1
• Title of publication: β-Phase of 1-(4-bromobenzyl)pyridinium bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')platinate(III)
• Authors of publication: Y.-C. Chen; X.-M. Ren
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m2176 - m2178
• a: 7.3814 ± 0.0008 Å
• b: 26.18 ± 0.003 Å
• c: 12.6488 ± 0.0014 Å
• α: 90°
• β: 105.739 ± 0.002°
• γ: 90°
• Cell volume: 2352.7 ± 0.5 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: 0.1077
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes