Crystallography Open Database

Information card for entry 4060564

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Coordinates	4060564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H27 Ir O6 S2
Calculated formula	C20 H27 Ir O6 S2
SMILES	[Ir]123456(SC(=C([S]1C2C(=O)OCC)C(=O)OC)C(=O)OC)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
Journal of publication	Organometallics
Year of publication	2005
a	8.5846 Å
b	10.7532 Å
c	14.1927 Å
α	70.386 ± 0.009°
β	73.927 ± 0.01°
γ	71.42 ± 0.009°
Cell volume	1148.43 ± 0.0001 Å³
Cell temperature	298.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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