Information card for entry 4343611

Structure parameters

• Formula: C46 H40 Ir N4 S2
• Calculated formula: C46 H40 Ir N4 S2
• Title of publication: Manipulating the Excited States of Cyclometalated Iridium Complexes with β-Ketoiminate and β-Diketiminate Ligands.
• Authors of publication: Radwan, Yousf K.; Maity, Ayan; Teets, Thomas S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 14
• Pages of publication: 7122 - 7131
• a: 10.935 ± 0.003 Å
• b: 11.113 ± 0.003 Å
• c: 17.087 ± 0.004 Å
• α: 83.328 ± 0.003°
• β: 80.841 ± 0.003°
• γ: 65.852 ± 0.003°
• Cell volume: 1867.6 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0222
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No