Crystallography Open Database

Information card for entry 4300517

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Coordinates	4300517.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H92 Cl2 Fe2 N2 O10 S2
Calculated formula	C108 H92 Cl2 Fe2 N2 O10 S2
SMILES	c12cccc[n]1[Fe]13([O]=S2C)([O]=C(c2c(cccc2c2ccc(cc2)C)c2ccc(cc2)C)O[Fe]24([n]5c(cccc5)S(C)=[O]2)([O]=C(O1)c1c(cccc1c1ccc(cc1)C)c1ccc(cc1)C)[O]=C(O4)c1c(cccc1c1ccc(cc1)C)c1ccc(cc1)C)[O]=C(O3)c1c(c2ccc(cc2)C)cccc1c1ccc(cc1)C.c1(ccccc1)Cl.c1(ccccc1)Cl
Journal of publication	Inorganic Chemistry
Year of publication	2006
a	12.3481 ± 0.0013 Å
b	13.2842 ± 0.0013 Å
c	14.8486 ± 0.0016 Å
α	107.009 ± 0.002°
β	103.26 ± 0.002°
γ	95.274 ± 0.003°
Cell volume	2233.7 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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

Version history

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