Crystallography Open Database

Information card for entry 4331552

Preview

Coordinates	4331552.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 F5 O Tl
Calculated formula	C6 F5 O Tl
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	4.1823 ± 0.0007 Å
b	9.2088 ± 0.0015 Å
c	9.7104 ± 0.0016 Å
α	107.052 ± 0.003°
β	101.884 ± 0.003°
γ	90.844 ± 0.003°
Cell volume	348.75 ± 0.1 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0329
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0789
Weighted residual factors for all reflections included in the refinement	0.0797
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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.	4331552.cif
97700	2014-01-29	cif/ Adding structures of 4331550, 4331551, 4331552, 4331553, 4331554, 4331555, 4331556 via cif-deposit CGI script.	4331552.cif