Crystallography Open Database

Information card for entry 4135192

Preview

Coordinates	4135192.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H5 N3 O3 Zn
Calculated formula	C6 H5 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	28.539 ± 0.003 Å
b	28.539 ± 0.003 Å
c	10.1528 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	7161.3 ± 1.1 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.1354
Residual factor for significantly intense reflections	0.1092
Weighted residual factors for significantly intense reflections	0.2517
Weighted residual factors for all reflections included in the refinement	0.2676
Goodness-of-fit parameter for all reflections included in the refinement	1.131
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
255545 (current)	2020-08-22	cif/ Adding structures of 4135192 via cif-deposit CGI script.	4135192.cif