Crystallography Open Database

Information card for entry 4061031

Preview

Coordinates	4061031.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H44 Fe N2
Calculated formula	C30 H44 Fe N2
SMILES	CC1=CC(=[N](c2c(cccc2C(C)C)C(C)C)[Fe](N1c1c(cccc1C(C)C)C(C)C)C)C
Journal of publication	Organometallics
Year of publication	2004
a	12.4862 ± 0.0012 Å
b	17.4494 ± 0.0016 Å
c	13.9462 ± 0.0013 Å
α	90°
β	104.904 ± 0.001°
γ	90°
Cell volume	2936.3 ± 0.5 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

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