Crystallography Open Database

Information card for entry 1515033

Preview

Coordinates	1515033.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H210 Cl2 Cu5 In30 N25 S54
Calculated formula	C81 Cl2 Cu4.999 In30.001 N18 S54
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	23.617 ± 0.002 Å
b	40.808 ± 0.004 Å
c	46.252 ± 0.005 Å
α	90°
β	94.748 ± 0.002°
γ	90°
Cell volume	44423 ± 7 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
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	0.0732
Residual factor for significantly intense reflections	0.0652
Weighted residual factors for significantly intense reflections	0.1593
Weighted residual factors for all reflections included in the refinement	0.1653
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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.	1515033.cif
110845	2014-04-20	cif/ Adding structures of 1515031, 1515032, 1515033, 1515034 via cif-deposit CGI script.	1515033.cif