Crystallography Open Database

Information card for entry 4060532

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Coordinates	4060532.cif
Original paper (by DOI)	HTML

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 Å³
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 F_obs	No

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