Information card for entry 7025153

Structure parameters

• Formula: C26 H28 Cl Ir N4 O4.67
• Calculated formula: C25.9867 H27.96 Cl Ir N4 O4.66667
• Title of publication: Highly luminescent bis-cyclometalated iridium(III) ethylenediamine complex: synthesis and correlation between the solid state polymorphism and the photophysical properties.
• Authors of publication: Talarico, Anna Maria; Aiello, Iolinda; Bellusci, Anna; Crispini, Alessandra; Ghedini, Mauro; Godbert, Nicolas; Pugliese, Teresa; Szerb, Elisabeta
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 7
• Pages of publication: 1709 - 1712
• a: 21.2691 ± 0.0006 Å
• b: 21.2691 ± 0.0006 Å
• c: 10.2551 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4017.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No