Crystallography Open Database

Information card for entry 4319349

4319348 << 4319349 >> 4319350

Preview

Coordinates	4319349.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H48 In8 N12 Te16.5 Zn2
Calculated formula	C12 H48 In8 N12 Te16.5 Zn2
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	36.814 ± 0.007 Å
b	16.908 ± 0.003 Å
c	25.302 ± 0.005 Å
α	90°
β	128.46 ± 0.03°
γ	90°
Cell volume	12332 ± 7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.2032
Residual factor for significantly intense reflections	0.0739
Weighted residual factors for significantly intense reflections	0.0868
Weighted residual factors for all reflections included in the refinement	0.109
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
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.	4319349.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.	4319349.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319349.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319349.cif
16081	2011-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4319349 via cif-deposit CGI script.	4319349.cif