Information card for entry 4340968

Structure parameters

• Common name: IrSO2SO2
• Formula: C54.75 H40 Ir N2 O6 P S2
• Calculated formula: C54.656 H40 Ir N2 O5.896 P S2
• Title of publication: Synthesis and spectroscopy of anionic cyclometalated iridium(III)-dithiolate and -sulfinates‒effect of sulfur dioxygenation on electronic structure and luminescence.
• Authors of publication: Nguyen, Van Ha; Chew, Hui Qi; Su, Bochao; Yip, John H. K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 18
• Pages of publication: 9739 - 9750
• a: 9.684 ± 0.009 Å
• b: 17.926 ± 0.017 Å
• c: 27.04 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4694 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No