Crystallography Open Database

Information card for entry 7227517

Preview

Coordinates	7227517.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H4 Co N6 O4
Calculated formula	C6 H4 Co N6 O4
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	6.025 ± 0.018 Å
b	6.025 ± 0.018 Å
c	26.95 ± 0.08 Å
α	90°
β	90°
γ	90°
Cell volume	978 ± 5 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	141
Hermann-Mauguin space group symbol	I 41/a m d
Hall space group symbol	-I 4bd 2
Residual factor for all reflections	0.1173
Residual factor for significantly intense reflections	0.0977
Weighted residual factors for significantly intense reflections	0.2787
Weighted residual factors for all reflections included in the refinement	0.2973
Goodness-of-fit parameter for all reflections included in the refinement	1.205
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	7227517.cif
190896	2017-01-25	cif/ Adding structures of 7227517, 7227518 via cif-deposit CGI script.	7227517.cif