Crystallography Open Database

Information card for entry 4100696

Preview

Coordinates	4100696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H48 B2 Fe N12
Calculated formula	C52 H48 B2 Fe N12
SMILES	[B]12(c3ccc(cc3)C#Cc3ccccc3)n3ccc(C)[n]3[Fe]34([n]5n1ccc5C)([n]1c(ccn21)C)[n]1c(ccn1[B](c1ccc(cc1)C#Cc1ccccc1)(n1ccc(C)[n]31)n1ccc(C)[n]41)C
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	25.957 ± 0.0012 Å
b	10.0679 ± 0.0005 Å
c	21.0622 ± 0.001 Å
α	90°
β	120.673 ± 0.001°
γ	90°
Cell volume	4734.2 ± 0.4 Å³
Cell temperature	294 ± 1 K
Ambient diffraction temperature	294 ± 1 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

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4100696.html