Crystallography Open Database

Information card for entry 1518335

Preview

Coordinates	1518335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H16 Cu N4 S2
Calculated formula	C11 H16 Cu N4 S2
Title of publication	Novel bis(methylimidazolium) alkane bolaamphiphiles as templates for the construction of haloclusters supramolecules
Authors of publication	Zhang, Wen-Li; Huang, Zhi-Peng; Ma, Cheng-Jie; Zai, Yu-Xia; Yang, Qing; Niu, Yun-Yin
Journal of publication	Inorganica Chimica Acta
Year of publication	2015
Journal volume	425
Pages of publication	52 - 60
a	5.9561 ± 0.0002 Å
b	12.4658 ± 0.0006 Å
c	20.3391 ± 0.0007 Å
α	90°
β	98.649 ± 0.003°
γ	90°
Cell volume	1492.96 ± 0.1 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0703
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.0884
Weighted residual factors for all reflections included in the refinement	0.0991
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.7107 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.	1518335.cif
127937	2014-11-27	cif/ Adding structures of 1518331, 1518332, 1518333, 1518334, 1518335 via cif-deposit CGI script.	1518335.cif