Crystallography Open Database

Information card for entry 4133209

Preview

Coordinates	4133209.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	a-ZIF-65(Zn)
Formula	C6 H4 N6 O4 Zn
Calculated formula	C6 H4 N6 O4 Zn
Title of publication	Porosity Properties of the Conformers of Sodalite-like Zeolitic Imidazolate Frameworks.
Authors of publication	Choi, Yejin; Noh, Kyungkyou; Lee, Jisu; Kim, Jaheon
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	44
Pages of publication	14586 - 14589
a	17.3893 ± 0.0003 Å
b	17.3893 ± 0.0003 Å
c	17.3893 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	5258.31 ± 0.16 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0697
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0665
Weighted residual factors for all reflections included in the refinement	0.076
Goodness-of-fit parameter for all reflections included in the refinement	0.899
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4133209.html