Information card for entry 4342737

Structure parameters

• Formula: C22 H16 N6 Pt S4
• Calculated formula: C22 H16 N6 Pt S4
• SMILES: [Pt]12([S]=C(S1)N(c1ncccc1)c1ncccc1)[S]=C(S2)N(c1ncccc1)c1ncccc1
• Title of publication: Interpreting Effects of Structure Variations Induced by Temperature and Pressure on Luminescence Spectra of Platinum(II) Bis(dithiocarbamate) Compounds.
• Authors of publication: Poirier, Stéphanie; Roberts, Ryan J.; Le, Debbie; Leznoff, Daniel B.; Reber, Christian
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 3728 - 3735
• a: 14.8473 ± 0.0008 Å
• b: 11.6616 ± 0.0006 Å
• c: 14.8428 ± 0.0008 Å
• α: 90°
• β: 116.275 ± 0.0008°
• γ: 90°
• Cell volume: 2304.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No