Crystallography Open Database

Information card for entry 4135178

Preview

Coordinates	4135178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8.97 H10.94 N3 O3.66 Zn
Calculated formula	C8.9755 H10.951 N3 O3.6585 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	28.3178 ± 0.0004 Å
b	28.3178 ± 0.0004 Å
c	10.1489 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	7048 ± 0.2 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	0.0501
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1425
Weighted residual factors for all reflections included in the refinement	0.1446
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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
255531 (current)	2020-08-22	cif/ Adding structures of 4135178 via cif-deposit CGI script.	4135178.cif