Crystallography Open Database

Information card for entry 4300660

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Coordinates	4300660.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C160 H224 Gd N16 S16
Calculated formula	C160 H224 Gd N16 S16
SMILES	c12=Nc3n4[Gd]56789([n]2c(c2c1cc(SCCCCCC)c(c2)SCCCCCC)N=c1n5c(=Nc2[n]6c(=Nc4c4cc(SCCCCCC)c(SCCCCCC)cc34)c3c2cc(SCCCCCC)c(SCCCCCC)c3)c2c1cc(SCCCCCC)c(SCCCCCC)c2)[n]1c2=Nc3n9c(N=c4[n]8c(N=c5n7c(=Nc1c1c2cc(c(c1)SCCCCCC)SCCCCCC)c1cc(SCCCCCC)c(SCCCCCC)cc51)c1cc(SCCCCCC)c(SCCCCCC)cc41)c1cc(SCCCCCC)c(SCCCCCC)cc31
Title of publication	Synthesis, Structure, Spectroscopic Properties and Magnetic Properties of Mesomorphic Octakis (hexylthio)-Substituted Phthalocyanine Rare-Earth Metal Sandwich Complexes
Authors of publication	Gurek, Ayse Gul; Basova, Tamara; Luneau, Dominique; Lebrun, Colette; Kol'tsov, Evgeny; Hassan, Aseel K.; Ahsen, Vefa
Journal of publication	Inorganic Chemistry
Year of publication	2006
a	31.595 ± 0.0018 Å
b	32.8157 ± 0.0018 Å
c	20.4808 ± 0.0011 Å
α	90°
β	127.005 ± 0.001°
γ	90°
Cell volume	16957.7 ± 1.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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