Crystallography Open Database

Information card for entry 4300513

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Coordinates	4300513.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H86 Fe2 N2 O8
Calculated formula	C98 H86 Fe2 N2 O8
SMILES	c1[n]([Fe]23([O]=C(c4c(cccc4c4ccc(cc4)C)c4ccc(cc4)C)O[Fe]4([n]5ccc(cc5)CC)([O]=C(O3)c3c(cccc3c3ccc(cc3)C)c3ccc(cc3)C)[O]=C(c3c(cccc3c3ccc(cc3)C)c3ccc(cc3)C)O4)[O]=C(c3c(cccc3c3ccc(cc3)C)c3ccc(cc3)C)O2)ccc(c1)CC
Journal of publication	Inorganic Chemistry
Year of publication	2006
a	10.775 ± 0.003 Å
b	24.89 ± 0.008 Å
c	15.118 ± 0.005 Å
α	90°
β	106.178 ± 0.006°
γ	90°
Cell volume	3894 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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