Information card for entry 7703409

Structure parameters

• Formula: C23 H24 I Ir N2 S3
• Calculated formula: C23 H24 I Ir N2 S3
• Title of publication: Electropolymerizable N-heterocyclic carbene complexes of Rh and Ir with enantiotropic polymorphic phases.
• Authors of publication: Wang, Weiran; Lynch, Vincent M.; Guo, Hongyu; Datta, Anwesha; Jones, Richard A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 7
• Pages of publication: 2264 - 2272
• a: 24.1194 ± 0.0003 Å
• b: 9.1793 ± 0.0001 Å
• c: 23.3012 ± 0.0004 Å
• α: 90°
• β: 113.303 ± 0.002°
• γ: 90°
• Cell volume: 4738.04 ± 0.13 ų
• Cell temperature: 100.01 ± 0.11 K
• Ambient diffraction temperature: 100.01 ± 0.11 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No