Crystallography Open Database

Information card for entry 4061036

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Coordinates	4061036.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H86 Fe2 N6
Calculated formula	C62 H86 Fe2 N6
SMILES	CC1=CC(C)=[N](c2c(cccc2C(C)C)C(C)C)[Fe]2(CC#[N][Fe]3(CC#[N]2)[N](c2c(cccc2C(C)C)C(C)C)=C(C)C=C(C)N3c2c(cccc2C(C)C)C(C)C)N1c1c(cccc1C(C)C)C(C)C
Journal of publication	Organometallics
Year of publication	2004
a	28.5456 ± 0.0016 Å
b	13.5388 ± 0.0008 Å
c	15.4445 ± 0.0009 Å
α	90°
β	99.06 ± 0.001°
γ	90°
Cell volume	5894.4 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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