Crystallography Open Database

Information card for entry 4062625

Preview

Coordinates	4062625.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H84 Fe2 P4
Calculated formula	C79 H84 Fe2 P4
SMILES	[Fe]12345([c]6(C)[c]1([c]2(C)[c]3([c]46C)C)C)(C#CCCCC#C[Fe]12346([c]7([c]4([c]3([c]2([c]17C)C)C)C)C)[P](CC[P]6(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](CC[P]5(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
Journal of publication	Organometallics
Year of publication	2004
a	8.479 ± 0.005 Å
b	19.603 ± 0.005 Å
c	21.125 ± 0.005 Å
α	73.641 ± 0.005°
β	85.148 ± 0.005°
γ	89.585 ± 0.005°
Cell volume	3357 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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

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