Crystallography Open Database

Information card for entry 4500333

Preview

Coordinates	4500333.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H40 Cd2 N6 O15 S4
Calculated formula	C37 H40 Cd2 N6 O15 S4
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	16.2439 ± 0.0011 Å
b	12.9649 ± 0.0009 Å
c	22.5736 ± 0.0015 Å
α	90°
β	106.404 ± 0.001°
γ	90°
Cell volume	4560.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0433
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0749
Weighted residual factors for all reflections included in the refinement	0.0813
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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.	4500333.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500333.cif
34455	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500329, 4500330, 4500331, 4500332, 4500333 via cif-deposit CGI script.	4500333.cif