Crystallography Open Database

Information card for entry 4100242

Preview

Coordinates	4100242.cif

Structure parameters

Formula	C94 H14 S4 Sc3
Calculated formula	C94 H14 S4 Sc2.996
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	11.0603 ± 0.0009 Å
b	14.4019 ± 0.0011 Å
c	15.575 ± 0.0012 Å
α	90°
β	103.891 ± 0.001°
γ	90°
Cell volume	2408.4 ± 0.3 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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