Crystallography Open Database

Information card for entry 4100455

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Coordinates	4100455.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Ar*S)2Cr
Formula	C72 H98 Cr S2
Calculated formula	C72 H98 Cr S2
SMILES	c12c(cccc1[c]1(c(cc(cc1C(C)C)C(C)C)C(C)C)[Cr]1(S2)[c]2(c3c(c(ccc3)c3c(cc(cc3C(C)C)C(C)C)C(C)C)S1)c(cc(cc2C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	10.38 ± 0.0015 Å
b	11.5353 ± 0.0017 Å
c	14.359 ± 0.002 Å
α	72.834 ± 0.005°
β	83.944 ± 0.004°
γ	78.82 ± 0.003°
Cell volume	1609.4 ± 0.4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
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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