Crystallography Open Database

Information card for entry 4109014

Preview

Coordinates	4109014.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 6
Formula	C107 H44 B4 Cl10 F60 Fe3 N2 Tl2
Calculated formula	C107 H44 B4 Cl10 F60 Fe3 N2 Tl2
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	10.0625 ± 0.0009 Å
b	11.6162 ± 0.001 Å
c	24.6374 ± 0.0019 Å
α	82.719 ± 0.007°
β	81.749 ± 0.007°
γ	84.366 ± 0.007°
Cell volume	2817.6 ± 0.4 Å³
Cell temperature	180 ± 2 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	0.1511
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.159
Weighted residual factors for all reflections included in the refinement	0.177
Goodness-of-fit parameter for all reflections included in the refinement	0.946
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
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.	4109014.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109014.cif
57765	2012-05-21	cif/ Adding structures of 4109014 via cif-deposit CGI script.	4109014.cif