Crystallography Open Database

Information card for entry 4331551

Preview

Coordinates	4331551.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H8 F10 O3 Tl2
Calculated formula	C16 H8 F10 O3 Tl2
SMILES	c1(F)c(F)c(F)c(F)c(F)c1[O]1[Tl][O](c2c(c(c(c(c2F)F)F)F)F)[Tl]1[O]1CCCC1
Title of publication	Thallophilic Interactions in Aryloxide Compounds: the {Tl2(μ2-OAr)4} Structural Motif in (TlOAr)4and Tl2Cu(OAr)4Compounds
Authors of publication	Childress, Montana V.; Millar, David; Alam, Todd M.; Kreisel, Kevin A.; Yap, Glenn P. A.; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	10
Pages of publication	3864 - 3877
a	14.288 ± 0.005 Å
b	19.253 ± 0.007 Å
c	7.439 ± 0.003 Å
α	90°
β	114.124 ± 0.004°
γ	90°
Cell volume	1867.6 ± 1.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0406
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0788
Weighted residual factors for all reflections included in the refinement	0.0813
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179418 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/15.	4331551.cif
97700	2014-01-29	cif/ Adding structures of 4331550, 4331551, 4331552, 4331553, 4331554, 4331555, 4331556 via cif-deposit CGI script.	4331551.cif