Crystallography Open Database

Information card for entry 4300520

Preview

Coordinates	4300520.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H68 Cl6 F8 Fe2 N O12 P
Calculated formula	C96 H68 Cl6 F8 Fe2 N O12 P
SMILES	[Fe]1234([Fe]([OH]2)([OH]3)([OH2])([O]=C(O4)c2c(cccc2c2ccc(F)cc2)c2ccc(F)cc2)(OC(=O)c2c(cccc2c2ccc(F)cc2)c2ccc(F)cc2)OC(=O)c2c(cccc2c2ccc(F)cc2)c2ccc(F)cc2)([n]2c(P(=[O]1)(c1ccccc1)c1ccccc1)cccc2)OC(=O)c1c(cccc1c1ccc(F)cc1)c1ccc(F)cc1.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
Journal of publication	Inorganic Chemistry
Year of publication	2006
a	12.9063 ± 0.0017 Å
b	14.1811 ± 0.0018 Å
c	24.99 ± 0.003 Å
α	78.235 ± 0.003°
β	86.11 ± 0.002°
γ	86.837 ± 0.003°
Cell volume	4463.4 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
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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