Crystallography Open Database

Information card for entry 4331556

Preview

Coordinates	4331556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 Cu0.5 F12 O3 Tl
Calculated formula	C20 H14 Cu0.5 F12.132 O3 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	15.627 ± 0.003 Å
b	18.813 ± 0.003 Å
c	15.799 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4644.8 ± 1.5 Å³
Cell temperature	218 ± 2 K
Ambient diffraction temperature	218 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0978
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1247
Weighted residual factors for all reflections included in the refinement	0.1436
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4331556.cif
97700	2014-01-29	cif/ Adding structures of 4331550, 4331551, 4331552, 4331553, 4331554, 4331555, 4331556 via cif-deposit CGI script.	4331556.cif