Crystallography Open Database

Information card for entry 4310277

Preview

Coordinates	4310277.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 N2 O10 S Zn
Calculated formula	C18 H12 N2 O10 S Zn
Title of publication	Synthesis, Characterization, and Crystal Structures of Three New Divalent Metal Carboxylate-Sulfonates with a Layered and One-Dimensional Structure
Authors of publication	Zhong-Ming Sun; Jiang-Gao Mao; Yan-Qiong Sun; Hui-Yi Zeng; Abraham Clearfield
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	336 - 341
a	8.7273 ± 0.0003 Å
b	9.5184 ± 0.0004 Å
c	13.7818 ± 0.0006 Å
α	96.608 ± 0.002°
β	94.816 ± 0.002°
γ	117.269 ± 0.002°
Cell volume	998.68 ± 0.07 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	0.1019
Residual factor for significantly intense reflections	0.0701
Weighted residual factors for significantly intense reflections	0.1695
Weighted residual factors for all reflections included in the refinement	0.1997
Goodness-of-fit parameter for all reflections included in the refinement	0.977
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
179141 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/02.	4310277.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310277.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310277.cif
1765	2010-11-06	../uploads/cif-deposit/cod/cif Adding structures of 4310277 via cif-deposit CGI script.	4310277.cif