Crystallography Open Database

Information card for entry 4331224

Preview

Coordinates	4331224.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H47 B F26 N Tl
Calculated formula	C67 H47 B F26 N Tl
Title of publication	Interaction of In(I) and Tl(I) Cations with 2,6-Diaryl Pyridine Ligands: Cation Encapsulation within a Very Weakly Interacting N/Arene Host Environment
Authors of publication	Hassanatu B. Mansaray; Christina Y. Tang; Dragoslav Vidovic; Amber L. Thompson; Simon Aldridge
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	13017 - 13022
a	12.8413 ± 0.0001 Å
b	13.8219 ± 0.0001 Å
c	35.7025 ± 0.0004 Å
α	90°
β	91.5709 ± 0.0003°
γ	90°
Cell volume	6334.5 ± 0.1 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1062
Residual factor for significantly intense reflections	0.0753
Weighted residual factors for all reflections	0.2159
Weighted residual factors for significantly intense reflections	0.1825
Weighted residual factors for all reflections included in the refinement	0.2159
Goodness-of-fit parameter for all reflections included in the refinement	0.9355
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.	4331224.cif
80688	2013-04-08	cif/ Adding structures of 4331224 via cif-deposit CGI script.	4331224.cif