Crystallography Open Database

Information card for entry 4060593

Preview

Coordinates	4060593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H23 Fe3 N O10 S
Calculated formula	C21 H23 Fe3 N O10 S
SMILES	[Fe]123([Fe]4([Fe]5([S]4[C]2(=[CH2]1)C3C5=O)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].[N+](CC)(CC)(CC)CC
Journal of publication	Organometallics
Year of publication	2006
a	8.649 ± 0.003 Å
b	20.801 ± 0.005 Å
c	14.594 ± 0.003 Å
α	90°
β	91.9 ± 0.02°
γ	90°
Cell volume	2624.1 ± 1.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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