Crystallography Open Database

Information card for entry 4000717

Preview

Coordinates	4000717.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H8 Ga2 O10
Calculated formula	C9 H7 Ga2 O10
Title of publication	71Ga Slow-CTMAS NMR and Crystal Structures of MOF-Type Gallium Carboxylates with Infinite Edge-Sharing Octahedra Chains (MIL-120 and MIL-124)
Authors of publication	Hajjar, Redouane; Volkringer, Christophe; Loiseau, Thierry; Guillou, Nathalie; Marrot, Jérôme; Férey, Gérard; Margiolaki, Irene; Fink, Gerhard; Morais, Claudia; Taulelle, Francis
Journal of publication	Chemistry of Materials
Year of publication	2011
Journal volume	23
Journal issue	1
Pages of publication	39
a	7.1517 ± 0.0002 Å
b	22.9276 ± 0.0005 Å
c	7.6767 ± 0.0001 Å
α	90°
β	97.649 ± 0.001°
γ	90°
Cell volume	1247.56 ± 0.05 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0345
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0953
Weighted residual factors for all reflections included in the refinement	0.1053
Goodness-of-fit parameter for all reflections included in the refinement	1.188
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4000717.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000717.cif
34914	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 4000717 via cif-deposit CGI script.	4000717.cif