Information card for entry 7023423

Structure parameters

• Formula: C47 H35 Cl3 Ir N2 P S3
• Calculated formula: C47 H35 Cl3 Ir N2 P S3
• Title of publication: Photophysical behaviour of cyclometalated iridium(III) complexes with phosphino(terthiophene) ligands.
• Authors of publication: Moore, Stephanie A.; Davies, David L.; Karim, Marcus M.; Nagle, Jeffrey K.; Wolf, Michael O.; Patrick, Brian O.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 34
• Pages of publication: 12354 - 12363
• a: 11.4198 ± 0.001 Å
• b: 11.2035 ± 0.001 Å
• c: 16.8429 ± 0.0013 Å
• α: 90°
• β: 106.532 ± 0.002°
• γ: 90°
• Cell volume: 2065.8 ± 0.3 ų
• Cell temperature: 90 ± 0.1 K
• Ambient diffraction temperature: 90 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0515
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No