Crystallography Open Database

Information card for entry 4000128

Preview

Coordinates	4000128.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 Cl4 Co0.9 Mn0.1 S12
Calculated formula	C14 H12 Cl4 Co0.33 S12
SMILES	Cl[Co](Cl)([Cl-])[Cl-].CSC1=C(SC)SC(=C2SC3=C(S2)SC(=C2SC(=C(S2)SC)SC)S3)S1
Journal of publication	Chemistry of Materials
Year of publication	2002
a	24.32 ± 0.01 Å
b	5.837 ± 0.002 Å
c	22.576 ± 0.006 Å
α	90°
β	119.94 ± 0.03°
γ	90°
Cell volume	2777 ± 2 Å³
Cell temperature	293.2 K
Ambient diffraction temperature	293.2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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