Crystallography Open Database

Information card for entry 4060438

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Coordinates	4060438.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H57 Ir O3 P4 S2
Calculated formula	C64 H57 Ir O3 P4 S2
SMILES	[Ir]123(OO1)([S]=P(C1=[P]3(C(P(=[S]2)(c2ccccc2)c2ccccc2)=C(C=C1c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1
Title of publication	On the regioselectivity of the addition of O2 on SPS-based Rh(I) and Ir(I) complexes
Authors of publication	M. Doux; L. Ricard; P. Le Floch; Y. Jean
Journal of publication	Organometallics
Year of publication	2005
a	16.891 ± 0.002 Å
b	13.116 ± 0.001 Å
c	28.127 ± 0.003 Å
α	90°
β	106.87 ± 0.01°
γ	90°
Cell volume	5963.2 ± 1.1 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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