Crystallography Open Database

Information card for entry 4126182

Preview

Coordinates	4126182.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ZIF-360
Formula	C18.8 H14.1 N9.7 O3.4 Zn2
Calculated formula	C18.8 H14.1 N9.7 O3.4 Zn2
Title of publication	Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.
Authors of publication	Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	18
Pages of publication	6448 - 6455
a	35.943 ± 0.003 Å
b	35.943 ± 0.003 Å
c	35.943 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	46435 ± 7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	229
Hermann-Mauguin space group symbol	I m -3 m
Hall space group symbol	-I 4 2 3
Residual factor for all reflections	0.066
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1815
Weighted residual factors for all reflections included in the refinement	0.1875
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	1.2399 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
197304 (current)	2017-06-04	cif/ Adding structures of 4126182 via cif-deposit CGI script.	4126182.cif