Crystallography Open Database

Information card for entry 7115214

Preview

Coordinates	7115214.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H12 N2 O4 Zn
Calculated formula	C10 H12 N2 O4 Zn
Title of publication	Topological control in coordination polymers by non-covalent forces
Authors of publication	Guilera, Gemma; Steed, Jonathan W.
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	16
Pages of publication	1563
a	5.6508 ± 0.0011 Å
b	7.2496 ± 0.0014 Å
c	13.179 ± 0.003 Å
α	90°
β	100.47 ± 0.03°
γ	90°
Cell volume	530.9 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0664
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1229
Weighted residual factors for all reflections included in the refinement	0.1297
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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
180266 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/52.	7115214.cif
120142	2014-07-12	cif/ Adding structures of 7115213, 7115214 via cif-deposit CGI script.	7115214.cif