Information card for entry 4339821

Structure parameters

• Common name: 04053
• Formula: C37 H26 Cl4 Ir2 N4 S4
• Calculated formula: C37 H26 Cl4 Ir2 N4 S4
• Title of publication: Selective low-temperature syntheses of facial and meridional tris-cyclometalated iridium(III) complexes.
• Authors of publication: McGee, Kari A.; Mann, Kent R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 19
• Pages of publication: 7800 - 7809
• a: 15.165 ± 0.002 Å
• b: 21.011 ± 0.003 Å
• c: 11.8879 ± 0.0018 Å
• α: 90°
• β: 102.626 ± 0.002°
• γ: 90°
• Cell volume: 3696.3 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0241
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No