Crystallography Open Database

Information card for entry 4135170

Preview

Coordinates	4135170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9.73 H13.38 N3.91 O3.91 Zn
Calculated formula	C9.733 H13.377 N3.911 O3.911 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	28.8656 ± 0.001 Å
b	28.8656 ± 0.001 Å
c	10.1277 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	7308.1 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0856
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.1596
Weighted residual factors for all reflections included in the refinement	0.1723
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
255523 (current)	2020-08-22	cif/ Adding structures of 4135170 via cif-deposit CGI script.	4135170.cif