Crystallography Open Database

Information card for entry 4135175

Preview

Coordinates	4135175.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9.79 H9.73 N3 O3 Zn
Calculated formula	C9.784 H9.73 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	27.0749 ± 0.0011 Å
b	27.0749 ± 0.0011 Å
c	10.1437 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	6439.6 ± 0.4 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	0.0608
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1509
Weighted residual factors for all reflections included in the refinement	0.1538
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
255528 (current)	2020-08-22	cif/ Adding structures of 4135175 via cif-deposit CGI script.	4135175.cif