Crystallography Open Database

Information card for entry 4340651

Preview

Coordinates	4340651.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H20 O22 S3 Zr3
Calculated formula	C42 H18 O22 S3 Zr3
Title of publication	Tuning CO2 Selective Adsorption over N2 and CH4 in UiO-67 Analogues through Ligand Functionalization.
Authors of publication	Wang, Bin; Huang, Hongliang; Lv, Xiu-Liang; Xie, Yabo; Li, Ming; Li, Jian-Rong
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	17
Pages of publication	9254 - 9259
a	26.3478 ± 0.0001 Å
b	26.3478 ± 0.0001 Å
c	26.3478 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	18290.8 ± 0.12 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0653
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1229
Weighted residual factors for all reflections included in the refinement	0.1321
Goodness-of-fit parameter for all reflections included in the refinement	0.917
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179509 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/06.	4340651.cif
132619	2015-03-02	cif/ (antanas@koala.ibt.lt) Fixing various typos in '_symmetry_space_group_name_Hall' tag for 18 CIFs in range 4.	4340651.cif
122932	2014-09-06	cif/ Updating files of 4340650, 4340651 Original log message: Adding full bibliography for 4340650--4340651.cif.	4340651.cif
121992	2014-08-18	cif/ Adding structures of 4340650, 4340651 via cif-deposit CGI script.	4340651.cif