Crystallography Open Database

Information card for entry 7214560

Preview

Coordinates	7214560.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(2-ethoxy-imidazolate-4-amide-5-imidato)-zinc(II) dimethylformamide solvate
Formula	C8.5 H11.5 N4.5 O3.5 Zn
Calculated formula	C7 H8 N4 O3 Zn
Title of publication	Syntheses of two imidazolate-4-amide-5-imidate linker-based hexagonal metal‒organic frameworks with flexible ethoxy substituent
Authors of publication	Mondal, Suvendu Sekhar; Dey, Subarna; Baburin, Igor A.; Kelling, Alexandra; Schilde, Uwe; Seifert, Gotthard; Janiak, Christoph; Holdt, Hans-Jürgen
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	45
Pages of publication	9394
a	18.0166 ± 0.0005 Å
b	18.0166 ± 0.0005 Å
c	18.6077 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	5230.8 ± 0.2 Å³
Cell temperature	210 ± 2 K
Ambient diffraction temperature	210 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0236
Residual factor for significantly intense reflections	0.0212
Weighted residual factors for significantly intense reflections	0.0559
Weighted residual factors for all reflections included in the refinement	0.0569
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180476 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/45.	7214560.cif
110304	2014-04-18	cif/ Adding structures of 7214560 via cif-deposit CGI script.	7214560.cif