Crystallography Open Database

Information card for entry 4310275

Preview

Coordinates	4310275.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4.5 H3 Cd0.25 N0.5 O1.75 S0.25
Calculated formula	C4.5 H3 Cd0.25 N0.5 O1.75 S0.25
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	7.7975 ± 0.0004 Å
b	9.0264 ± 0.0004 Å
c	13.0844 ± 0.0002 Å
α	74.765 ± 0.002°
β	87.993 ± 0.003°
γ	74.033 ± 0.003°
Cell volume	853.59 ± 0.06 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	0.1197
Residual factor for significantly intense reflections	0.0709
Weighted residual factors for significantly intense reflections	0.1237
Weighted residual factors for all reflections included in the refinement	0.1493
Goodness-of-fit parameter for all reflections included in the refinement	1.152
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4310275.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310275.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310275.cif
1763	2010-11-06	../uploads/cif-deposit/cod/cif Adding structures of 4310275 via cif-deposit CGI script.	4310275.cif