Crystallography Open Database

Information card for entry 4061034

Preview

Coordinates	4061034.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H53 Fe N2 O
Calculated formula	C42 H53 Fe N2 O
SMILES	[Fe]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)OC(c1ccccc1)c1ccccc1
Journal of publication	Organometallics
Year of publication	2004
a	11.1605 ± 0.0006 Å
b	13.1731 ± 0.0007 Å
c	13.6412 ± 0.0007 Å
α	93.79 ± 0.001°
β	99.882 ± 0.001°
γ	102.177 ± 0.001°
Cell volume	1920.37 ± 0.18 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
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

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