Information card for entry 4060532

Structure parameters

• Formula: C21 H31 F6 Ir N3 O2 P
• Calculated formula: C21 H31 F6 Ir N3 O2 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].[Ir]1234([CH2]=[CH2]1)([CH2]=[CH2]2)[N]1[C@@H](C(C)C)COC=1c1[n]4c(C2=[N]3[C@@H](C(C)C)CO2)ccc1
• Title of publication: Novel Iridium Complexes Containing 2,6-Bis(oxazoline)pyridine Ligands: Synthesis and Reactivity of the Diolefin Iridium(I) Complex [Ir(η^2^-C~2~H~4~)2{κ^3^N,N,N-(S,S)-i-Pr-pybox}][PF~6~] ((S,S)-i-Pr-pybox = 2,6-Bis(4'-(S)-isopropyloxazolin-2'-yl)pyridine)
• Authors of publication: Díez, Josefina; Gamasa, M. Pilar; Gimeno, José; Paredes, Paloma
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 8
• Pages of publication: 1799 - 1802
• a: 15.3775 ± 0.0007 Å
• b: 8.4994 ± 0.0003 Å
• c: 9.2423 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1207.96 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No