Crystallography Open Database

Information card for entry 7209813

7209812 << 7209813 >> 7209814

Preview

Coordinates	7209813.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H13 B0 Cu N3 O0 S2
Calculated formula	C11 H13 Cu N3 S2
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	11.0461 ± 0.0015 Å
b	10.8682 ± 0.0014 Å
c	11.0982 ± 0.0015 Å
α	90°
β	96.472 ± 0.002°
γ	90°
Cell volume	1323.9 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
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	0.0474
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0742
Weighted residual factors for all reflections included in the refinement	0.0818
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 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.	7209813.cif
86103	2013-05-09	cif/ Adding structures of 7209808, 7209809, 7209810, 7209811, 7209812, 7209813 via cif-deposit CGI script.	7209813.cif