Crystallography Open Database

Information card for entry 4300593

Preview

Coordinates	4300593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H41 Cu O P2 S2
Calculated formula	C47 H41 Cu O P2 S2
SMILES	[Cu]1([O]=C(C=C(S1)SC)c1ccc(cc1)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Journal of publication	Inorganic Chemistry
Year of publication	2006
a	10.506 ± 0.002 Å
b	12.334 ± 0.002 Å
c	31.934 ± 0.005 Å
α	90°
β	93.63 ± 0.01°
γ	90°
Cell volume	4129.4 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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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