Crystallography Open Database

Information card for entry 4109015

Preview

Coordinates	4109015.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 11b
Formula	C50 H30 B2 Cl4 F30 N O6 Tl
Calculated formula	C50 H30 B2 Cl4 F30 N O6 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	12.4566 ± 0.0003 Å
b	15.7031 ± 0.0006 Å
c	16.4745 ± 0.001 Å
α	73.71 ± 0.004°
β	87.071 ± 0.004°
γ	72.249 ± 0.003°
Cell volume	2943.8 ± 0.2 Å³
Cell temperature	140 ± 1 K
Ambient diffraction temperature	140 ± 1 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.039
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0805
Weighted residual factors for all reflections included in the refinement	0.0832
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178836 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/90.	4109015.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109015.cif
57766	2012-05-21	cif/ Adding structures of 4109015 via cif-deposit CGI script.	4109015.cif