Crystallography Open Database

Information card for entry 4135188

Preview

Coordinates	4135188.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8.01 H9.02 N3 O4.01 Zn
Calculated formula	C8.016 H9.032 N3 O4.008 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	27.0355 ± 0.0009 Å
b	27.0355 ± 0.0009 Å
c	10.1431 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	6420.5 ± 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	0.0555
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1421
Weighted residual factors for all reflections included in the refinement	0.1451
Goodness-of-fit parameter for all reflections included in the refinement	1.177
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
255541 (current)	2020-08-22	cif/ Adding structures of 4135188 via cif-deposit CGI script.	4135188.cif