Crystallography Open Database

Information card for entry 4135173

Preview

Coordinates	4135173.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8.9 H9.85 N3.95 O3 Zn
Calculated formula	C8.899 H9.8485 N3.9495 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	27.8332 ± 0.0003 Å
b	27.8332 ± 0.0003 Å
c	10.14011 ± 0.00014 Å
α	90°
β	90°
γ	120°
Cell volume	6802.99 ± 0.14 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	0.0383
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.1149
Weighted residual factors for all reflections included in the refinement	0.1158
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
255526 (current)	2020-08-22	cif/ Adding structures of 4135173 via cif-deposit CGI script.	4135173.cif