Information card for entry 7701076

Structure parameters

• Formula: C20 H17 I2 N3 Pd S3
• Calculated formula: C20 H17 I2 N3 Pd 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: 22.1504 ± 0.0019 Å
• b: 11.3508 ± 0.0009 Å
• c: 19.5686 ± 0.0017 Å
• α: 90°
• β: 98.853 ± 0.002°
• γ: 90°
• Cell volume: 4861.4 ± 0.7 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 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: 0.0412
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No