Crystallography Open Database

Information card for entry 4061030

Preview

Coordinates	4061030.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H62 Fe N2
Calculated formula	C39 H62 Fe N2
SMILES	[Fe]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)CC(C)C
Journal of publication	Organometallics
Year of publication	2004
a	9.7846 ± 0.0004 Å
b	17.6801 ± 0.0008 Å
c	21.5292 ± 0.0009 Å
α	90°
β	95.821 ± 0.001°
γ	90°
Cell volume	3705.2 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
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

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4061030.html