Crystallography Open Database

Information card for entry 7214954

Preview

Coordinates	7214954.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 N3 O7 Zn
Calculated formula	C20 H22 N3 O7 Zn
Title of publication	Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties
Authors of publication	Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	23
Pages of publication	8173
a	7.6224 ± 0.0005 Å
b	11.3078 ± 0.0006 Å
c	13.4989 ± 0.0006 Å
α	65.261 ± 0.005°
β	74.349 ± 0.005°
γ	83.501 ± 0.005°
Cell volume	1017.54 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0732
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1315
Weighted residual factors for all reflections included in the refinement	0.146
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7214954.cif
111003	2014-04-20	cif/ Adding structures of 7214952, 7214953, 7214954, 7214955, 7214956, 7214957, 7214958, 7214959, 7214960, 7214961 via cif-deposit CGI script.	7214954.cif