Crystallography Open Database

Information card for entry 4130303

Preview

Coordinates	4130303.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H3 O10.5 Zn3
Calculated formula	C12 H3 O10.5 Zn3
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	22.917 ± 0.0004 Å
b	22.917 ± 0.0004 Å
c	15.9024 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	7232.8 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0795
Residual factor for significantly intense reflections	0.0772
Weighted residual factors for significantly intense reflections	0.1717
Weighted residual factors for all reflections included in the refinement	0.1727
Goodness-of-fit parameter for all reflections included in the refinement	1.215
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
240784 (current)	2019-11-25	cif/ Adding structures of 4130303 via cif-deposit CGI script.	4130303.cif