Information card for entry 7019607

Structure parameters

• Formula: C28 H24 F6 Ir N4 P
• Calculated formula: C28 H24 F6 Ir N4 P
• Title of publication: Luminescence mechanochromism in cyclometallated Ir(iii) complexes containing picolylamine.
• Authors of publication: Mastropietro, Teresa F.; Yadav, Yogesh J.; Szerb, Elisabeta I.; Talarico, Anna Maria; Ghedini, Mauro; Crispini, Alessandra
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 29
• Pages of publication: 8899 - 8907
• a: 11.0809 ± 0.0013 Å
• b: 15.5306 ± 0.0018 Å
• c: 16.1226 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2774.6 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No