Crystallography Open Database

Information card for entry 4338543

Preview

Coordinates	4338543.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H12 Cu N2 Na O12 S4 Zn2
Calculated formula	C4 H12 Cu N2 Na O12 S4 Zn2
Title of publication	New Types of 3D Organically Templated Zn^2+^/Cd^2+^‒Cu^+^ Mixed Metal Sulfites
Authors of publication	Li, Pei-Xin; Hu, Chun-Li; Lin, Qi-Pu; Zhao, Na; Mao, Jiang-Gao
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Journal issue	12
Pages of publication	5454 - 5461
a	7.648 ± 0.005 Å
b	8.518 ± 0.005 Å
c	13.82 ± 0.007 Å
α	91.747 ± 0.007°
β	92.078 ± 0.004°
γ	113.059 ± 0.007°
Cell volume	826.9 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0651
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1155
Weighted residual factors for all reflections included in the refinement	0.1253
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
210073 (current)	2018-08-23	cif/4/ Updating bibliography in entries 4302387-4302388, 4338542-4338543. Marking entries 4302387-4302388 as duplicates of entries 4338542-4338543.	4338543.cif
179488	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/85.	4338543.cif
114738	2014-05-29	cif/ Adding structures of 4338542, 4338543 via cif-deposit CGI script.	4338543.cif