Crystallography Open Database

Information card for entry 4108100

Preview

Coordinates	4108100.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H5 O7 Y
Calculated formula	C9 H3 O7 Y
Title of publication	Hydrogen Adsorption in a Highly Stable Porous Rare-Earth Metal-Organic Framework: Sorption Properties and Neutron Diffraction Studies
Authors of publication	Junhua Luo; Hongwu Xu; Yun Liu; Yusheng Zhao; Luke L. Daemen; Craig Brown; Tatiana V. Timofeeva; Shengqian Ma; Hong-Cai Zhou
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	9626 - 9627
a	10.223 ± 0.003 Å
b	10.223 ± 0.003 Å
c	14.493 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1514.7 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	95
Hermann-Mauguin space group symbol	P 43 2 2
Hall space group symbol	P 4cw 2c
Residual factor for all reflections	0.0818
Residual factor for significantly intense reflections	0.0773
Weighted residual factors for significantly intense reflections	0.193
Weighted residual factors for all reflections included in the refinement	0.1976
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
178827 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/81.	4108100.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108100.cif
56436	2012-05-11	cif/ Adding structures of 4108100 via cif-deposit CGI script.	4108100.cif