Crystallography Open Database

Information card for entry 4508675

Preview

Coordinates	4508675.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H14 Cl2 N4 S Zn
Calculated formula	C13 H14 Cl2 N4 S Zn
Title of publication	Anion-Directed Assembly of Macrocycle and Helix
Authors of publication	Zhang, Xuanjun; Zhou, Xiao-Ping; Li, Dan
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	6
Pages of publication	1440
a	7.6049 ± 0.0006 Å
b	15.2204 ± 0.0012 Å
c	13.8276 ± 0.0011 Å
α	90°
β	90.828 ± 0.001°
γ	90°
Cell volume	1600.4 ± 0.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
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	0.0327
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.0676
Weighted residual factors for all reflections included in the refinement	0.0698
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
179622 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/86.	4508675.cif
96843	2014-01-29	cif/ Adding structures of 4508675 via cif-deposit CGI script.	4508675.cif