Crystallography Open Database

Information card for entry 4060597

Preview

Coordinates	4060597.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H6 Fe3 O10 S
Calculated formula	C14 H6 Fe3 O10 S
SMILES	[Fe]1([Fe]2345([Fe]6([S]2[C]3(=[CH2]1)[CH]4=[C]56OC)(C#[O])(C#[O])C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Journal of publication	Organometallics
Year of publication	2006
a	10.105 ± 0.002 Å
b	31.158 ± 0.007 Å
c	12.71 ± 0.006 Å
α	90°
β	108.06 ± 0.02°
γ	90°
Cell volume	3805 ± 2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.