Information card for entry 7018550

Structure parameters

• Formula: C24 H24 Cl Ir N4
• Calculated formula: C24 H24 Cl Ir N4
• SMILES: [Ir]123([NH2]CC[NH2]1)([n]1c(c4c2cccc4)cccc1)[n]1c(c2c3cccc2)cccc1.[Cl-]
• 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: 13.534 ± 0.003 Å
• b: 22.985 ± 0.003 Å
• c: 10.2524 ± 0.0014 Å
• α: 90°
• β: 109.164 ± 0.008°
• γ: 90°
• Cell volume: 3012.6 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0201
• Residual factor for significantly intense reflections: 0.0182
• Weighted residual factors for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.0474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No