Crystallography Open Database

Information card for entry 7205843

7205842 << 7205843 >> 7205844

Preview

Coordinates	7205843.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H12 N6 O5 Zn2
Calculated formula	C13 H12 N6 O5 Zn2
Title of publication	Ancillary ligand-mediated syntheses and fluorescence properties of zinc(ii) complexes based on flexible benzene dicarboxylic acid
Authors of publication	Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	8
Pages of publication	3013
a	32.8723 ± 0.0016 Å
b	32.8723 ± 0.0016 Å
c	8.4085 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	7868.8 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0386
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0735
Weighted residual factors for all reflections included in the refinement	0.077
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
180389 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/58.	7205843.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205843.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205843.cif
21029	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7205841, 7205842, 7205843 via cif-deposit CGI script.	7205843.cif