Crystallography Open Database

Information card for entry 4300519

Preview

Coordinates	4300519.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C122 H110 Cl12 Fe6 N2 O18 P2
Calculated formula	C122 H108 Cl12 Fe6 N2 O18 P2
SMILES	c1(P(c2ccccn2)(=[O][Fe]234([OH][Fe]56([O]72[Fe]289([OH]5)([O]5%10[Fe]%11([O]=P(c%12ccccc%12)(c%12ncccc%12)c%12ccccc%12)([OH][Fe]%10(O2)([OH][Fe]795([O]=C(O%11)c2c(cccc2c2ccc(cc2)C)c2ccc(C)cc2)(O6)OC(=[O]3)c2c(cccc2c2ccc(cc2)C)c2ccc(cc2)C)Cl)([O]=C(O8)c2c(cccc2c2ccc(cc2)C)c2ccc(cc2)C)Cl)OC(=[O]4)c2c(cccc2c2ccc(cc2)C)c2ccc(C)cc2)Cl)Cl)c2ccccc2)ccccc1.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
Journal of publication	Inorganic Chemistry
Year of publication	2006
a	14.508 ± 0.002 Å
b	15.852 ± 0.003 Å
c	15.904 ± 0.003 Å
α	78.407 ± 0.003°
β	77.951 ± 0.003°
γ	63.832 ± 0.003°
Cell volume	3185.5 ± 0.9 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

Version history is temporarily not available due to server issues.