Crystallography Open Database

Information card for entry 4135176

Preview

Coordinates	4135176.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H7 N3 O3 Zn
Calculated formula	C7 H7 N3 O3 Zn
Title of publication	Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.
Authors of publication	Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
a	24.035 ± 0.003 Å
b	24.035 ± 0.003 Å
c	10.2251 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	5115.5 ± 0.9 Å³
Cell temperature	195 K
Ambient diffraction temperature	195 K
Number of distinct elements	5
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.1019
Residual factor for significantly intense reflections	0.0857
Weighted residual factors for significantly intense reflections	0.2207
Weighted residual factors for all reflections included in the refinement	0.2345
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
255529 (current)	2020-08-22	cif/ Adding structures of 4135176 via cif-deposit CGI script.	4135176.cif