Crystallography Open Database

Information card for entry 1518334

Preview

Coordinates	1518334.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H14 Cu2 N5 S3
Calculated formula	C11 H14 Cu2 N5 S3
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	8.1184 ± 0.0006 Å
b	10.2788 ± 0.0007 Å
c	11.1619 ± 0.001 Å
α	107.439 ± 0.007°
β	104.091 ± 0.007°
γ	94.198 ± 0.006°
Cell volume	851.06 ± 0.13 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0474
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0881
Weighted residual factors for all reflections included in the refinement	0.0963
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	1518334.cif
127937	2014-11-27	cif/ Adding structures of 1518331, 1518332, 1518333, 1518334, 1518335 via cif-deposit CGI script.	1518334.cif