Crystallography Open Database

Information card for entry 7018150

Preview

Coordinates	7018150.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H6 O9 S Zn2
Calculated formula	C8 H6 O9 S Zn2
Title of publication	Self-assembly, crystal structures, and properties of metal-2-sulfoterephthalate frameworks based on [M(4)(μ(3)-OH)(2)](6+) clusters (M = Co, Mn, Zn and Cd).
Authors of publication	Ren, Yi-Xia; Xiao, Shan-Shan; Zheng, Xiang-Jun; Li, Li-Cun; Jin, Lin-Pei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	9
Pages of publication	2639 - 2647
a	8.1269 ± 0.0002 Å
b	11.984 ± 0.0002 Å
c	22.0101 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2143.62 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0372
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0601
Weighted residual factors for all reflections included in the refinement	0.0639
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7018150.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018150.cif
37665	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7018147, 7018148, 7018149, 7018150, 7018151, 7018152 via cif-deposit CGI script.	7018150.cif