Information card for entry 7018547

Structure parameters

• Formula: C24 H24 F6 Ir N4 P
• Calculated formula: C24 H24 F6 Ir N4 P
• SMILES: [Ir]123([NH2]CC[NH2]1)([n]1c(c4c2cccc4)cccc1)[n]1c(c2c3cccc2)cccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Tuning solid state luminescent properties in a hydrogen bonding-directed supramolecular assembly of bis-cyclometalated iridium(iii) ethylenediamine complexes.
• Authors of publication: Talarico, Anna Maria; Szerb, Elisabeta Ildyko; Mastropietro, Teresa F.; Aiello, Iolinda; Crispini, Alessandra; Ghedini, Mauro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 16
• Pages of publication: 4919 - 4926
• a: 7.9909 ± 0.0006 Å
• b: 10.6437 ± 0.0008 Å
• c: 14.8207 ± 0.0015 Å
• α: 78.458 ± 0.003°
• β: 81.685 ± 0.004°
• γ: 80.293 ± 0.003°
• Cell volume: 1209.32 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No