Crystallography Open Database

Information card for entry 7113847

Preview

Coordinates	7113847.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H40 Au2 P2 Se4 Te2
Calculated formula	C48 H40 Au2 P2 Se4 Te2
SMILES	c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Au]1[Se][Te][Se][Au][Se][Te][Se]1.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	[TeSe~3~]^2-^ and [TeSe~2~]^2^ as synthons
Authors of publication	Dibrov, Sergey M.; Ibers, James A.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	17
Pages of publication	2158 - 2159
a	9.8089 ± 0.0005 Å
b	13.6406 ± 0.0007 Å
c	17.5009 ± 0.001 Å
α	90°
β	97.751 ± 0.001°
γ	90°
Cell volume	2320.2 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0309
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0847
Weighted residual factors for all reflections included in the refinement	0.0855
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7103891
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210566 (current)	2018-09-08	cif/7/ Updating bibliography in entries 7103890-7103892, 7113846-7113848. Marking entries 7113846-7113848 as duplicates of entries 7103890-7103892.	7113847.cif
180252	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/38.	7113847.cif
115308	2014-06-02	cif/ Adding structures of 7113846, 7113847, 7113848 via cif-deposit CGI script.	7113847.cif