Information card for entry 7018551

Structure parameters

• Formula: C48 H44 B Ir N4
• Calculated formula: C48 H44 B Ir N4
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.c12ccccc1c1[n](cccc1)[Ir]132([NH2]CC[NH2]1)c1ccccc1c1cccc[n]31
• 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: 10.212 ± 0.005 Å
• b: 26.279 ± 0.011 Å
• c: 14.334 ± 0.006 Å
• α: 90°
• β: 95.113 ± 0.011°
• γ: 90°
• Cell volume: 3831 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No