Crystallography Open Database

Information card for entry 7209812

7209811 << 7209812 >> 7209813

Preview

Coordinates	7209812.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H17 Cu2 N5 S3
Calculated formula	C17 H17 Cu2 N5 S3
Title of publication	The side chain template effect in viologen on the formation of polypseudorotaxane architecture: six novel metal coordination polymers and their properties
Authors of publication	Li, Li; Yue, Jun-Ming; Qiao, Yong-Zhen; Niu, Yun-Yin; Hou, Hong-Wei
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	19
Pages of publication	3835
a	11.659 ± 0.0004 Å
b	12.0484 ± 0.0003 Å
c	28.1225 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3950.43 ± 0.19 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291.15 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0667
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1218
Weighted residual factors for all reflections included in the refinement	0.1448
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180429 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/98.	7209812.cif
86103	2013-05-09	cif/ Adding structures of 7209808, 7209809, 7209810, 7209811, 7209812, 7209813 via cif-deposit CGI script.	7209812.cif