Information card for entry 7042905

Structure parameters

• Formula: C28 H26 N4 Pt S4
• Calculated formula: C28 H26 N4 Pt S4
• SMILES: [Pt]12([S]=C(N(Cc3ccccc3)Cc3cnccc3)S1)[S]=C(N(Cc1ccccc1)Cc1cnccc1)S2
• Title of publication: Large d-d luminescence energy variations in square-planar bis(dithiocarbamate) platinum(ii) and palladium(ii) complexes with near-identical MS4 motifs: a variable-pressure study.
• Authors of publication: Poirier, Stéphanie; Rahmani, Feriel; Reber, Christian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 5279 - 5287
• a: 6.4423 ± 0.0002 Å
• b: 10.0534 ± 0.0003 Å
• c: 11.5378 ± 0.0003 Å
• α: 74.949 ± 0.001°
• β: 80 ± 0.001°
• γ: 71.428 ± 0.001°
• Cell volume: 680.67 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No