Crystallography Open Database

Information card for entry 7018859

Preview

Coordinates	7018859.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H5 N4 Tl
Calculated formula	C7 H5 N4 Tl
SMILES	c1(c2ccccc2)n[n-]nn1.[Tl+]
Title of publication	Synthesis and characterization of four new thallium(i) tetrazole supramolecular compounds with various secondary interactions; new precursors for thallium(iii) oxide nano-particles
Authors of publication	Parast, Mohammad Sadegh Yazdan; Morsali, Ali; Ebrahimpour, Parisa
Journal of publication	Dalton Transactions
Year of publication	2012
Journal volume	41
Journal issue	19
Pages of publication	5848
a	32.979 ± 0.002 Å
b	3.8845 ± 0.0002 Å
c	12.5892 ± 0.0008 Å
α	90°
β	100.331 ± 0.004°
γ	90°
Cell volume	1586.62 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0418
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0645
Weighted residual factors for all reflections included in the refinement	0.0745
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7018859.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018859.cif
55976	2012-05-08	cif/ Adding structures of 7018857, 7018858, 7018859, 7018860 via cif-deposit CGI script.	7018859.cif