Crystallography Open Database

Information card for entry 4319350

4319349 << 4319350 >> 4319351

Preview

Coordinates	4319350.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cu2 K2 Te5
Calculated formula	Cu2 K2 Te5
Title of publication	Rb~4~Hg~5~(Te~2~)~2~(Te~3~)~2~Te~3, [Zn(en)~3~]~4~In~16~(Te~2~)~4~(Te~3~)Te~22~, and K~2~Cu~2~(Te~2~)(Te~3~): Novel Metal Polytellurides with Unusual Metal-Tellurium Coordination
Authors of publication	Xuean Chen; Xiaoying Huang; Jing Li
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	1341 - 1346
a	11.386 ± 0.002 Å
b	7.756 ± 0.002 Å
c	11.985 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1058.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0546
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.064
Weighted residual factors for all reflections included in the refinement	0.0686
Goodness-of-fit parameter for all reflections included in the refinement	1.134
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
179273 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/93.	4319350.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	4319350.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319350.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319350.cif
16082	2011-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4319350 via cif-deposit CGI script.	4319350.cif