Crystallography Open Database

Information card for entry 4334093

Preview

Coordinates	4334093.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H7 Cu O5
Calculated formula	C13 H7 Cu O5
Title of publication	Expanded Porous MOF-505 Analogue Exhibiting Large Hydrogen Storage Capacity and Selective Carbon Dioxide Adsorption
Authors of publication	Baishu Zheng; Ruirui Yun; Junfeng Bai; Zhiyong Lu; Liting Du; Yizhi Li
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	2823 - 2829
a	18.8306 ± 0.0006 Å
b	18.8306 ± 0.0006 Å
c	53.788 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	16517.5 ± 1.4 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	4
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.057
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0835
Weighted residual factors for all reflections included in the refinement	0.0892
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
179443 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/40.	4334093.cif
99906	2014-02-04	cif/ Adding structures of 4334093 via cif-deposit CGI script.	4334093.cif