Crystallography Open Database

Information card for entry 4331223

Preview

Coordinates	4331223.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H62 B F24 In N2
Calculated formula	C78 H62 B F24 In N2
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	15.811 ± 0.0001 Å
b	26.2876 ± 0.0002 Å
c	17.9324 ± 0.0001 Å
α	90°
β	98.3967 ± 0.0003°
γ	90°
Cell volume	7373.41 ± 0.08 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	0.1248
Residual factor for significantly intense reflections	0.0996
Weighted residual factors for all reflections	0.282
Weighted residual factors for significantly intense reflections	0.2531
Weighted residual factors for all reflections included in the refinement	0.282
Goodness-of-fit parameter for all reflections included in the refinement	0.9605
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.	4331223.cif
80687	2013-04-08	cif/ Adding structures of 4331223 via cif-deposit CGI script.	4331223.cif