Crystallography Open Database

Information card for entry 4109013

Preview

Coordinates	4109013.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 5b
Formula	C62.5 H43 B2 Cl5 F30 N Tl
Calculated formula	C62.5 H42 B2 Cl5 F30 N Tl
Title of publication	Thallium(I) Sandwich, Multidecker, and Ether Complexes Stabilized by Weakly-Coordinating Anions: A Spectroscopic, Structural, and Theoretical Investigation
Authors of publication	Yann Sarazin; David L. Hughes; Nikolas Kaltsoyannis; Joseph A. Wright; Manfred Bochmann
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	881 - 894
a	12.2427 ± 0.0005 Å
b	13.9012 ± 0.0004 Å
c	19.1784 ± 0.0006 Å
α	84.244 ± 0.002°
β	86.754 ± 0.003°
γ	87.66 ± 0.003°
Cell volume	3240.24 ± 0.19 Å³
Cell temperature	140 ± 1 K
Ambient diffraction temperature	140 ± 1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0729
Weighted residual factors for all reflections included in the refinement	0.0753
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
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.	4109013.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109013.cif
57764	2012-05-21	cif/ Adding structures of 4109013 via cif-deposit CGI script.	4109013.cif