Information card for entry 7019605

Structure parameters

• Formula: C30 H30 Cl Ir N4 O
• Calculated formula: C30 H30 Cl Ir N4 O
• 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: 14.2312 ± 0.0013 Å
• b: 11.7771 ± 0.0011 Å
• c: 19.2326 ± 0.0018 Å
• α: 90°
• β: 104.77 ± 0.004°
• γ: 90°
• Cell volume: 3116.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0654
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.258
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No