Crystallography Open Database

Information card for entry 4100454

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Coordinates	4100454.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Bert*S)2Mn
Formula	C72 H98 Mn S2
Calculated formula	C72 H98 Mn S2
SMILES	c1(C(C)C)c(c2c(c(ccc2)c2c(cc(cc2C(C)C)C(C)C)C(C)C)S[Mn]Sc2c(cccc2c2c(cc(cc2C(C)C)C(C)C)C(C)C)c2c(cc(cc2C(C)C)C(C)C)C(C)C)c(cc(c1)C(C)C)C(C)C
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	10.3845 ± 0.0015 Å
b	11.6674 ± 0.0017 Å
c	14.568 ± 0.002 Å
α	69.444 ± 0.011°
β	75.886 ± 0.011°
γ	80.284 ± 0.012°
Cell volume	1596 ± 0.4 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 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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