Crystallography Open Database

Information card for entry 4126185

Preview

Coordinates	4126185.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ZIF-410
Formula	C11 H7 Cl N4 O Zn
Calculated formula	C11 H7 Cl N4 O Zn
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	25.9453 ± 0.0006 Å
b	25.9453 ± 0.0006 Å
c	19.5015 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	11368.8 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.0765
Residual factor for significantly intense reflections	0.0692
Weighted residual factors for significantly intense reflections	0.2403
Weighted residual factors for all reflections included in the refinement	0.2506
Goodness-of-fit parameter for all reflections included in the refinement	1.138
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
197307 (current)	2017-06-04	cif/ Adding structures of 4126185 via cif-deposit CGI script.	4126185.cif