Crystallography Open Database

Information card for entry 7229212

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Coordinates	7229212.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(μ-formato)-(μ-hydroxo)-2-trifluoromethyl-imidazolate-zinc(II) dimethylformamide hemisolvate
Formula	C6 H6.5 F3 N2.5 O2 Zn
Calculated formula	C6 H6.5 F3 N2.5 O2 Zn
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	14.2627 ± 0.0004 Å
b	13.4623 ± 0.0005 Å
c	9.8745 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1895.99 ± 0.16 Å³
Cell temperature	210 ± 2 K
Ambient diffraction temperature	210 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0274
Residual factor for significantly intense reflections	0.024
Weighted residual factors for significantly intense reflections	0.065
Weighted residual factors for all reflections included in the refinement	0.067
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
201094 (current)	2017-09-21	cif/ Adding structures of 7229212, 7229213 via cif-deposit CGI script.	7229212.cif