Crystallography Open Database

Information card for entry 4308988

Preview

Coordinates	4308988.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 K N4 Tl
Calculated formula	C4 K N4 Tl
SMILES	C(#N)[Tl](C#N)(C#N)C#N.[K+]
Title of publication	Solubility, Complex Formation, and Redox Reactions in the Tl2O3-HCN/CN‒H2O System. Crystal Structures of the Cyano Compounds Tl(CN)3.H2O, Na[Tl(CN)4].3H2O, K[Tl(CN)4], and TlI[TlIII(CN)4] and of TlI2C2O4
Authors of publication	Péter Nagy; Andreas Fischer; Julius Glaser; Andrey Ilyukhin; Mikhail Maliarik; Imre Tóth
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	2347 - 2357
a	7.547 ± 0.0009 Å
b	7.547 ± 0.0009 Å
c	14.987 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	853.62 ± 0.18 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.146
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.0973
Weighted residual factors for all reflections included in the refinement	0.113
Goodness-of-fit parameter for all reflections included in the refinement	0.948
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
179127 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/89.	4308988.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308988.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308988.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308988.cif