Information card for entry 7701073

Structure parameters

• Formula: C15 H13 I N2 S3
• Calculated formula: C15 H13 I N2 S3
• Title of publication: Synthesis and electropolymerization of N-heterocyclic carbene complexes of Pd(ii) and Pt(ii) from an emissive imidazolium salt with a terthiophene backbone.
• Authors of publication: Wang, Weiran; Guo, Hongyu; Jones, Richard A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 38
• Pages of publication: 14440 - 14449
• a: 10.5465 ± 0.0014 Å
• b: 12.5852 ± 0.0017 Å
• c: 13.9485 ± 0.0018 Å
• α: 73.117 ± 0.003°
• β: 73.645 ± 0.004°
• γ: 87.82 ± 0.004°
• Cell volume: 1698 ± 0.4 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 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: 0.0492
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No