Crystallography Open Database

Information card for entry 1512713

Preview

Coordinates	1512713.cif

Structure parameters

Formula	C16 H12 N2 O8 Zn
Calculated formula	C16 H12 N2 O8 Zn
SMILES	[Zn]1(OC(=O)C[n+]2cccc(c2)C(O[Zn]OC(=O)C[n+]2cccc(c2)C(=O)O1)=O)(OC(=O)C[n+]1cccc(c1)C(=O)[O-])OC(=O)c1ccc[n+](c1)CC(=O)[O-]
Title of publication	Syntheses, structures and photoluminescent properties of three new coordination polymers based on semirigid zwitterionic ligand
Authors of publication	Yong-Qing Huang; Yan-Hua Wang; Yue Zhao; Qian Zhao; Yang Yang; Wei Zhao; Qian Shao
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	393
Pages of publication	164 - 170
a	14.3015 ± 0.0018 Å
b	7.1697 ± 0.0009 Å
c	15.1451 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	1552.9 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0338
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0759
Weighted residual factors for all reflections included in the refinement	0.0785
Goodness-of-fit parameter for all reflections included in the refinement	1.121
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512713.cif
90780	2013-11-18	cif/ Adding structures of 1512713 via cif-deposit CGI script.	1512713.cif