Crystallography Open Database

Information card for entry 4126184

Preview

Coordinates	4126184.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ZIF-303
Formula	C7.5 H4 Cl0.5 N4.25 O0.5 Zn
Calculated formula	C7.5 H4 Cl0.5 N4.25 O0.5 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	26.9457 ± 0.0015 Å
b	26.9457 ± 0.0015 Å
c	26.763 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	16828.5 ± 1.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3
Hall space group symbol	-R 3
Residual factor for all reflections	0.2176
Residual factor for significantly intense reflections	0.1247
Weighted residual factors for significantly intense reflections	0.3101
Weighted residual factors for all reflections included in the refinement	0.4031
Goodness-of-fit parameter for all reflections included in the refinement	1.189
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
197306 (current)	2017-06-04	cif/ Adding structures of 4126184 via cif-deposit CGI script.	4126184.cif