Crystallography Open Database

Information card for entry 4100708

Preview

Coordinates	4100708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H48 B2 Cu2 F40 N6 O6
Calculated formula	C82 H48 B2 Cu2 F40 N6 O6
SMILES	[B-](c1c(F)c(F)c(F)c(c1F)F)(c1c(c(F)c(c(c1F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(F)c(F)c(F)c(F)c1F.c1cc(cc2[n]1[Cu]13([n]4c(cc(OC)cc4)CC[N]1(CC2)C)[OH][Cu]12([n]4ccc(cc4CC[N]1(C)CCc1[n]2ccc(OC)c1)OC)[OH]3)OC.[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
Title of publication	Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.
Authors of publication	Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	11.0861 ± 0.0005 Å
b	12.1285 ± 0.0005 Å
c	16.1999 ± 0.0007 Å
α	68.696 ± 0.001°
β	81.587 ± 0.001°
γ	88.82 ± 0.001°
Cell volume	2006.27 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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

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