Information card for entry 1565155

Structure parameters

• Formula: C46 H54 Ir2 N4 S2
• Calculated formula: C46 H54 Ir2 N4 S2
• Title of publication: Pyrrole thioamide complexes of organo-rhodium(III), -iridium(III) and -ruthenium(II)
• Authors of publication: Tang, Haiming; Saunders, Graham C.; Raymond, Onyekachi; Ma, Xiaochuan; Henderson, William
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 506
• Pages of publication: 119545
• a: 11.659 ± 0.0004 Å
• b: 12.5787 ± 0.0004 Å
• c: 14.107 ± 0.0003 Å
• α: 90.321 ± 0.002°
• β: 96.465 ± 0.002°
• γ: 90.118 ± 0.003°
• Cell volume: 2055.67 ± 0.11 ų
• Cell temperature: 99.97 ± 0.11 K
• Ambient diffraction temperature: 99.97 ± 0.11 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: 0.0527
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0383
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No