Information card for entry 4061096

Structure parameters

• Formula: C50 H60 F6 Ir N4 P
• Calculated formula: C50 H60 F6 Ir N4 P
• SMILES: c12ccccc1c1cccc[n]1[Ir]132([n]2ccc(cc2c2[n]1ccc(c2)CCCCCCCCC)CCCCCCCCC)c1ccccc1c1cccc[n]31.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Cationic Cyclometalated Iridium Luminophores: Photophysical, Redox, and Structural Characterization
• Authors of publication: Neve, Francesco; La Deda, Massimo; Crispini, Alessandra; Bellusci, Anna; Puntoriero, Fausto; Campagna, Sebastiano
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 24
• Pages of publication: 5856 - 5863
• a: 14.431 ± 0.002 Å
• b: 32.146 ± 0.006 Å
• c: 12.421 ± 0.002 Å
• α: 90°
• β: 125.52 ± 0.01°
• γ: 90°
• Cell volume: 4690.1 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No