Crystallography Open Database

Information card for entry 4001046

Preview

Coordinates	4001046.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H0 Ho K O12
Calculated formula	C4 Ho K O12
Title of publication	Immobilization of Alkali Metal Ions in a 3D Lanthanide-Organic Framework: Selective Sorption and H2Storage Characteristics
Authors of publication	Mohapatra, Sudip; Hembram, K. P. S. S.; Waghmare, Umesh; Maji, Tapas Kumar
Journal of publication	Chemistry of Materials
Year of publication	2009
Journal volume	21
Journal issue	22
Pages of publication	5406
a	11.4651 ± 0.0003 Å
b	11.4651 ± 0.0003 Å
c	8.9154 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1171.92 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	141
Hermann-Mauguin space group symbol	I 41/a m d :2
Hall space group symbol	-I 4bd 2
Residual factor for all reflections	0.0291
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0921
Weighted residual factors for all reflections included in the refinement	0.0927
Goodness-of-fit parameter for all reflections included in the refinement	1.385
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001046.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001046.cif
38941	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4001046 via cif-deposit CGI script.	4001046.cif