Information card for entry 7036175

Structure parameters

• Formula: C63 H50 Cl6 F12 Ir2 N12 P2
• Calculated formula: C60 H44 F11.9997 Ir2 N12 P2
• 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: 14.953 ± 0.005 Å
• b: 22.622 ± 0.007 Å
• c: 18.916 ± 0.006 Å
• α: 90°
• β: 95.823 ± 0.006°
• γ: 90°
• Cell volume: 6366 ± 4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.237
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No