Crystallography Open Database

Information card for entry 4500330

Preview

Coordinates	4500330.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H12 N3 O4 S2 Zn
Calculated formula	C18 H12 N3 O4 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	8.33 ± 0.004 Å
b	10.652 ± 0.006 Å
c	12.045 ± 0.006 Å
α	69.424 ± 0.006°
β	76.87 ± 0.007°
γ	79.897 ± 0.007°
Cell volume	969.1 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1434
Residual factor for significantly intense reflections	0.1293
Weighted residual factors for significantly intense reflections	0.4124
Weighted residual factors for all reflections included in the refinement	0.4234
Goodness-of-fit parameter for all reflections included in the refinement	1.742
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.	4500330.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500330.cif
34455	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500329, 4500330, 4500331, 4500332, 4500333 via cif-deposit CGI script.	4500330.cif