Crystallography Open Database

Information card for entry 4100713

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Coordinates	4100713.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[PhBP3]CoS(2,4,6-iPr-Ph)
Formula	C60 H64 B Co P3 S
Calculated formula	C60 H64 B Co P3 S
SMILES	[Co]12(Sc3c(cc(cc3C(C)C)C(C)C)C(C)C)[P](C[B](c3ccccc3)(C[P]1(c1ccccc1)c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
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	15.3738 ± 0.0011 Å
b	17.3171 ± 0.0013 Å
c	20.7953 ± 0.0015 Å
α	65.655 ± 0.001°
β	87.329 ± 0.002°
γ	88.642 ± 0.002°
Cell volume	5038.5 ± 0.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
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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