Crystallography Open Database

Information card for entry 4062961

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Coordinates	4062961.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H39 B F24 Fe O2
Calculated formula	C50 H39 B F24 Fe O2
SMILES	[Fe]12345(C#[O])(C#[O])(CC1C(C)(C)C)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Journal of publication	Organometallics
Year of publication	2004
a	17.935 ± 0.004 Å
b	19.412 ± 0.004 Å
c	29.048 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	10113 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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