Crystallography Open Database

Information card for entry 2019258

2019257 << 2019258 >> 2019259

Preview

Coordinates	2019258.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[[μ~4~-1-(2-carboxylatoethyl)-6-oxo-9<i>H</i>-purin-9-ido]zinc(II)]
Formula	C8 H6 N4 O3 Zn
Calculated formula	C8 H6 N4 O3 Zn
Title of publication	The purine‒carboxylate-containing coordination polymer poly[[μ~4~-1-(2-carboxylatoethyl)-6-oxo-6,9-dihydro-1<i>H</i>-purin-9-ido]zinc(II)]
Authors of publication	Ma, Wen-Juan; Li, Guo-Ting
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	11
Pages of publication	1314 - 1316
a	10.785 ± 0.002 Å
b	10.1308 ± 0.0019 Å
c	8.91 ± 0.003 Å
α	90°
β	111.01 ± 0.03°
γ	90°
Cell volume	908.8 ± 0.4 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0645
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.105
Weighted residual factors for all reflections included in the refinement	0.1108
Goodness-of-fit parameter for all reflections included in the refinement	0.992
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
211196 (current)	2018-09-27	cod/ Removing the _chemical_name_common and _chemical_name_systematic data items that contained the summary chemical formula instead of the chemical name from 6249 entries.	2019258.cif
176760	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2019258.cif
91238	2013-12-09	cif/ Adding structures of 2019258 via cif-deposit CGI script.	2019258.cif