Crystallography Open Database

Information card for entry 4500329

Preview

Coordinates	4500329.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 N2 O5 S2 Zn
Calculated formula	C12 H6 N2 O5 S2 Zn
Title of publication	Syntheses and Crystal Structures of a Series of Zn(II)/Cd(II) Coordination Polymers Constructed from a Flexible 6,6′-Dithiodinicotinic Acid
Authors of publication	Zhang, Ya-Nan; Liu, Ping; Wang, Yao-Yu; Wu, Ling-Yue; Pang, Ling-Yan; Shi, Qi-Zhen
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	5
Pages of publication	1531
a	21.989 ± 0.008 Å
b	13.251 ± 0.005 Å
c	11.174 ± 0.004 Å
α	90°
β	97.15 ± 0.005°
γ	90°
Cell volume	3231 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0832
Residual factor for significantly intense reflections	0.0727
Weighted residual factors for significantly intense reflections	0.2088
Weighted residual factors for all reflections included in the refinement	0.2153
Goodness-of-fit parameter for all reflections included in the refinement	1.153
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
179534 (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 4/50/03.	4500329.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500329.cif
34455	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500329, 4500330, 4500331, 4500332, 4500333 via cif-deposit CGI script.	4500329.cif