Crystallography Open Database

Information card for entry 4130302

Preview

Coordinates	4130302.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H6 O24 Zn6
Calculated formula	C27 H6 O24 Zn6
Title of publication	UTSA-74: A MOF-74 Isomer with Two Accessible Binding Sites per Metal Center for Highly Selective Gas Separation.
Authors of publication	Luo, Feng; Yan, Changsheng; Dang, Lilong; Krishna, Rajamani; Zhou, Wei; Wu, Hui; Dong, Xinglong; Han, Yu; Hu, Tong-Liang; O'Keeffe, Michael; Wang, Lingling; Luo, Mingbiao; Lin, Rui-Biao; Chen, Banglin
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	17
Pages of publication	5678 - 5684
a	22.9511 ± 0.0008 Å
b	22.9511 ± 0.0008 Å
c	15.8965 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	7251.7 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.1812
Residual factor for significantly intense reflections	0.1631
Weighted residual factors for significantly intense reflections	0.3024
Weighted residual factors for all reflections included in the refinement	0.3099
Goodness-of-fit parameter for all reflections included in the refinement	1.282
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
240783 (current)	2019-11-25	cif/ Adding structures of 4130302 via cif-deposit CGI script.	4130302.cif