Crystallography Open Database

Information card for entry 7216769

Preview

Coordinates	7216769.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	coordination Polymer
Formula	C18 H16 N4 O6 S Zn
Calculated formula	C18 H12 N4 O6 S Zn
Title of publication	Structural diversity and luminescence properties of coordination polymers based on mixed ligands, 2,5-bis(imidazol-1-yl)thiophene (thim2) and aromatic multicarboxylates
Authors of publication	Singh, Namita; Anantharaman, Ganapathi
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	34
Pages of publication	7914
a	9.961 ± 0.005 Å
b	17.323 ± 0.004 Å
c	10.814 ± 0.005 Å
α	90°
β	94.871 ± 0.005°
γ	90°
Cell volume	1859.3 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.074
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1315
Weighted residual factors for all reflections included in the refinement	0.1822
Goodness-of-fit parameter for all reflections included in the refinement	1.118
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
180498 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/67.	7216769.cif
121600	2014-08-08	cif/ Updating files of 7216769, 7216770, 7216771, 7216772, 7216773, 7216774, 7216775 Original log message: Adding full bibliography for 7216769--7216775.cif.	7216769.cif
118160	2014-06-26	cif/ Adding structures of 7216769, 7216770, 7216771, 7216772, 7216773, 7216774, 7216775 via cif-deposit CGI script.	7216769.cif