Information card for entry 7023422

Structure parameters

• Formula: C44 H35 B Cl4 F4 Ir N4 P S3
• Calculated formula: C44 H35 B Cl4 F4 Ir N4 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: 9.1409 ± 0.0008 Å
• b: 20.6403 ± 0.0018 Å
• c: 24.406 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4604.7 ± 0.7 ų
• Cell temperature: 90 ± 0.1 K
• Ambient diffraction temperature: 90 ± 0.1 K
• Number of distinct elements: 9
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No