Crystallography Open Database

Information card for entry 4060595

Preview

Coordinates	4060595.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H4 Fe2 O7 S
Calculated formula	C10 H4 Fe2 O7 S
SMILES	[Fe]12([Fe]34([S]1C(=O)[C]4(=[CH]23)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
Journal of publication	Organometallics
Year of publication	2006
a	6.7272 ± 0.0018 Å
b	6.935 ± 0.002 Å
c	15.9564 ± 0.0017 Å
α	89.434 ± 0.002°
β	84.29 ± 0.001°
γ	66.166 ± 0.002°
Cell volume	677.2 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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

Version history

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