Information card for entry 7036904

Structure parameters

• Formula: C37.5 H38.25 F18 Ir N6 O1.75 P3
• Calculated formula: C37.5 H37 F18 Ir N6 O1.75 P3
• Title of publication: Cyclometalated Ir(iii) complexes of deprotonated N-methylbipyridinium ligands: effects of quaternised N centre position on luminescence.
• Authors of publication: Coe, Benjamin J.; Helliwell, Madeleine; Raftery, James; Sánchez, Sergio; Peers, Martyn K.; Scrutton, Nigel S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 47
• Pages of publication: 20392 - 20405
• a: 13.3456 ± 0.0019 Å
• b: 13.3584 ± 0.0019 Å
• c: 13.788 ± 0.002 Å
• α: 70.073 ± 0.002°
• β: 87.824 ± 0.003°
• γ: 80.281 ± 0.002°
• Cell volume: 2277.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No