Crystallography Open Database

Information card for entry 1515034

Preview

Coordinates	1515034.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H186 Cu5 Ga30 N23 S56
Calculated formula	C47.12 Cu4.96 Ga30.04 N10.47 S56
Title of publication	Largest discrete supertetrahedral clusters synthesized in ionic liquids
Authors of publication	Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying
Journal of publication	Chemical Science
Year of publication	2012
Journal volume	3
Journal issue	4
Pages of publication	1200
a	23.018 ± 0.003 Å
b	23.018 ± 0.003 Å
c	42.321 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	19419 ± 5 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0891
Residual factor for significantly intense reflections	0.0797
Weighted residual factors for significantly intense reflections	0.1516
Weighted residual factors for all reflections included in the refinement	0.1568
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515034.cif
110845	2014-04-20	cif/ Adding structures of 1515031, 1515032, 1515033, 1515034 via cif-deposit CGI script.	1515034.cif