Crystallography Open Database

Information card for entry 7018152

Preview

Coordinates	7018152.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H34 Cd2 N4 O9 S
Calculated formula	C34 H34 Cd2 N4 O9 S
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	14.3744 ± 0.0002 Å
b	16.8577 ± 0.0002 Å
c	14.6927 ± 0.0002 Å
α	90°
β	97.305 ± 0.001°
γ	90°
Cell volume	3531.43 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0589
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0692
Weighted residual factors for all reflections included in the refinement	0.0786
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
179885 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/81.	7018152.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018152.cif
37665	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7018147, 7018148, 7018149, 7018150, 7018151, 7018152 via cif-deposit CGI script.	7018152.cif