Crystallography Open Database

Information card for entry 4135197

Preview

Coordinates	4135197.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H8 N3 O3 Zn
Calculated formula	C9 H8 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	26.5411 ± 0.0014 Å
b	26.5411 ± 0.0014 Å
c	10.1419 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	6187.1 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0755
Residual factor for significantly intense reflections	0.0641
Weighted residual factors for significantly intense reflections	0.1487
Weighted residual factors for all reflections included in the refinement	0.155
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
255550 (current)	2020-08-22	cif/ Adding structures of 4135197 via cif-deposit CGI script.	4135197.cif