Crystallography Open Database

Information card for entry 7100068

Preview

Coordinates	7100068.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H45 Cl Fe N3 O
Calculated formula	C33 H45 Cl Fe N3 O
SMILES	[Fe]12(Cl)([O](CC)CC)[N](=C(C)c3[n]1c(ccc3)C(=[N]2c1c(cccc1CC)CC)C)c1c(cccc1CC)CC
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	13.1161 ± 0.0005 Å
b	19.2048 ± 0.0008 Å
c	13.5204 ± 0.0006 Å
α	90°
β	115.146 ± 0.001°
γ	90°
Cell volume	3082.9 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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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