Information card for entry 7025154

Structure parameters

• Formula: C27 H30 Cl Ir N4 O5
• Calculated formula: C27 H30 Cl Ir N4 O5
• 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: 7.8556 ± 0.0007 Å
• b: 10.6295 ± 0.001 Å
• c: 17.284 ± 0.0016 Å
• α: 85.174 ± 0.004°
• β: 77.803 ± 0.004°
• γ: 82.635 ± 0.004°
• Cell volume: 1396.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No