Crystallography Open Database

Information card for entry 7018271

Preview

Coordinates	7018271.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H114 N6 O24 S5 Zn7
Calculated formula	C100 H108 N6 O24 S5 Zn7
Title of publication	Luminescent microporous metal-metallosalen frameworks with the primitive cubic net.
Authors of publication	Zhu, Chengfeng; Xuan, Weimin; Cui, Yong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	14
Pages of publication	3928 - 3932
a	22.286 ± 0.002 Å
b	19.845 ± 0.002 Å
c	34.29 ± 0.004 Å
α	90°
β	90.968 ± 0.003°
γ	90°
Cell volume	15163 ± 3 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 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	0.1541
Residual factor for significantly intense reflections	0.0752
Weighted residual factors for significantly intense reflections	0.1597
Weighted residual factors for all reflections included in the refinement	0.1756
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
179886 (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 7/01/82.	7018271.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018271.cif
52020	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7018271, 7018272 via cif-deposit CGI script.	7018271.cif