Crystallography Open Database

Information card for entry 4100457

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Structure parameters

Common name	(Bert*S2)Co
Formula	C72 H98 Co S2
Calculated formula	C72 H98 Co S2
SMILES	[Co](Sc1c(cccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)Sc1c(cccc1c1c(cc(cc1C(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	11.665 ± 0.003 Å
b	16.711 ± 0.003 Å
c	18.263 ± 0.004 Å
α	103.453 ± 0.006°
β	106.382 ± 0.011°
γ	99.023 ± 0.006°
Cell volume	3226 ± 1.2 Å³
Cell temperature	91 ± 2 K
Ambient diffraction temperature	91 ± 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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