Crystallography Open Database

Information card for entry 4060591

Preview

Coordinates	4060591.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H20 Fe I N O2
Calculated formula	C19 H20 Fe I N O2
SMILES	[I-].[Fe]12345([n]6c(CC7([c]85[cH]4[cH]3[cH]2[cH]18)CCCCC7)cccc6)(C#[O])C#[O]
Journal of publication	Organometallics
Year of publication	2006
a	7.987 ± 0.002 Å
b	14.59 ± 0.004 Å
c	16.197 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1887.4 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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