Crystallography Open Database

Information card for entry 7227518

Preview

Coordinates	7227518.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H4 N6 O4 Zn
Calculated formula	C6 H4 N6 O4 Zn
Title of publication	Porous zinc and cobalt 2-nitroimidazolate frameworks with six-membered ring windows and a layered cobalt 2-nitroimidazolate polymorph
Authors of publication	Orsi, Angelica; Price, David J.; Kahr, Jürgen; Pillai, Renjith S.; Sneddon, Scott; Cao, Shuai; Benoit, Virginie; Łozińska, Magdalena M.; Cordes, David B.; Slawin, Alexandra M. Z.; Llewellyn, Philip L.; Casely, Ian; Ashbrook, Sharon E.; Maurin, Guillaume; Wright, Paul A.
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	10
Pages of publication	1377
a	8.462 ± 0.008 Å
b	14.549 ± 0.015 Å
c	18.799 ± 0.018 Å
α	90°
β	90°
γ	90°
Cell volume	2314 ± 4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1007
Residual factor for significantly intense reflections	0.0942
Weighted residual factors for significantly intense reflections	0.1976
Weighted residual factors for all reflections included in the refinement	0.2008
Goodness-of-fit parameter for all reflections included in the refinement	1.376
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
195019 (current)	2017-04-05	cif/ Updating files of 7227517, 7227518 Original log message: Adding full bibliography for 7227517--7227518.cif.	7227518.cif
190896	2017-01-25	cif/ Adding structures of 7227517, 7227518 via cif-deposit CGI script.	7227518.cif