Information card for entry 7036173

Structure parameters

• Formula: C41.13 H31.25 B Cl3.63 F4 Ir N7 O S2
• Calculated formula: C41.103 H31.206 B Cl3.603 F4 Ir N7 O S2
• Title of publication: Emissive Ir(iii) complexes bearing thienylamido groups on a 1,10-phenanthroline scaffold.
• Authors of publication: Howarth, Ashlee J.; Majewski, Marek B.; Brown, Christopher M.; Lelj, Francesco; Wolf, Michael O.; Patrick, Brian O.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 37
• Pages of publication: 16272 - 16279
• a: 32.99 ± 0.008 Å
• b: 16.515 ± 0.004 Å
• c: 15.788 ± 0.004 Å
• α: 90°
• β: 99.572 ± 0.005°
• γ: 90°
• Cell volume: 8482 ± 4 ų
• Cell temperature: 90 ± 0.1 K
• Ambient diffraction temperature: 90 ± 0.1 K
• Number of distinct elements: 9
• 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: 0.0977
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No