Crystallography Open Database

Information card for entry 7100066

Preview

Coordinates	7100066.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H46 Fe N3
Calculated formula	C34 H46 Fe N3
SMILES	[Fe]12([N](=C(c3[n]1c(C(=[N]2c1c(cccc1C(C)C)C(C)C)C)ccc3)C)c1c(cccc1C(C)C)C(C)C)C
Title of publication	Square planar bis(imino)pyridine iron halide and alkyl complexes
Authors of publication	Paul Chirik; Suzanne C. Bart; Marco W. Bouwkamp; Eric J. Hawrelak; Emil Lobkovsky; Ryan J. Trovitch
Journal of publication	Chemical Communications
Year of publication	2005
a	16.0725 ± 0.0012 Å
b	16.2819 ± 0.0011 Å
c	17.0074 ± 0.0012 Å
α	86.074 ± 0.002°
β	64.426 ± 0.002°
γ	62.003 ± 0.002°
Cell volume	3494.2 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7100066.html