Crystallography Open Database

Information card for entry 4109016

Preview

Coordinates	4109016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47.5 H20 B2 Cl3 F30 N Sn
Calculated formula	C47.5 H20 B2 Cl3 F30 N Sn
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	28.3882 ± 0.0013 Å
b	14.5749 ± 0.0005 Å
c	24.8491 ± 0.0014 Å
α	90°
β	105.688 ± 0.004°
γ	90°
Cell volume	9898.4 ± 0.8 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 1 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0848
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1269
Weighted residual factors for all reflections included in the refinement	0.1375
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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.	4109016.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109016.cif
57767	2012-05-21	cif/ Adding structures of 4109016 via cif-deposit CGI script.	4109016.cif