Crystallography Open Database

Information card for entry 7229213

Preview

Coordinates	7229213.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(2-methyl-imidazolate)-(2-trifluoromethyl-imidazolate)-zinc(II) dimethylformamide solvate
Formula	C18 H24.5 F4.5 N8 O2 Zn1.5
Calculated formula	C12 H6 F2.25 N6 Zn1.5
Title of publication	Synthesis of a partially fluorinated ZIF-8 analog for ethane/ethene separation
Authors of publication	Holdt, Hans-Jurgen; Mondal, Suvendu Sekhar; Hovestadt, Maximilian; Dey, Subarna; Paula, Carolin; Glomb, Sebastian; Kelling, Alexandra; Schilde, Uwe; Janiak, Christoph; Hartmann, Martin
Journal of publication	CrystEngComm
Year of publication	2017
a	17.0786 ± 0.0006 Å
b	17.0786 ± 0.0006 Å
c	17.0786 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	4981.5 ± 0.3 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	217
Hermann-Mauguin space group symbol	I -4 3 m
Hall space group symbol	I -4 2 3
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0976
Weighted residual factors for all reflections included in the refinement	0.1003
Goodness-of-fit parameter for all reflections included in the refinement	1.143
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
201094 (current)	2017-09-21	cif/ Adding structures of 7229212, 7229213 via cif-deposit CGI script.	7229213.cif