Crystallography Open Database

Information card for entry 4308986

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Coordinates	4308986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 O4 Tl2
Calculated formula	C2 O4 Tl2
SMILES	C(=O)([O-])C(=O)[O-].[Tl+].[Tl+]
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	6.6141 ± 0.0009 Å
b	5.8404 ± 0.0011 Å
c	6.662 ± 0.0015 Å
α	90°
β	99.22 ± 0.02°
γ	90°
Cell volume	254.02 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0553
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.117
Weighted residual factors for all reflections included in the refinement	0.1173
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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.	4308986.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308986.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308986.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4308986.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).	4308986.cif