Information card for entry 4060533

Structure parameters

• Formula: C20 H28 Cl F6 Ir N3 O2 P
• Calculated formula: C20 H28 Cl F6 Ir N3 O2 P
• SMILES: [CH2]1=[CH]2C[Ir]3412(Cl)[N]1[C@@H](C(C)C)COC=1c1cccc(C2=[N]4[C@H](CO2)C(C)C)[n]31.[P](F)(F)(F)(F)(F)[F-]
• 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: 8.2524 ± 0.0005 Å
• b: 16.0006 ± 0.001 Å
• c: 9.4409 ± 0.0006 Å
• α: 90°
• β: 91.441 ± 0.005°
• γ: 90°
• Cell volume: 1246.21 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No