Information card for entry 7036174

Structure parameters

• Formula: C36.75 H28.75 Cl F6 Ir N7 O P S
• Calculated formula: C36.704 H28.808 Cl1.009 F6 Ir N7 O P S
• 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: 26.311 ± 0.003 Å
• b: 16.555 ± 0.002 Å
• c: 16.918 ± 0.002 Å
• α: 90°
• β: 96.839 ± 0.007°
• γ: 90°
• Cell volume: 7316.7 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0806
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No