Crystallography Open Database

Information card for entry 7001183

Preview

Coordinates	7001183.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H6 Er N O9 S
Calculated formula	C2 H2 Er N O9 S
Title of publication	Five related metal‒organic frameworks constructed from [Ln2(SO4)2(H2O)n]2+ units and oxalate or acetate ligands
Authors of publication	Liu, Hsiao-Chan; Chen, I-Han; Huang, Anny; Huang, Sin-Chiang; Hsu, Kuei-Fang
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	18
Pages of publication	3447 - 3456
a	6.4752 ± 0.0009 Å
b	8.4502 ± 0.0012 Å
c	13.627 ± 0.002 Å
α	90°
β	93.028 ± 0.003°
γ	90°
Cell volume	744.58 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0657
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.0754
Weighted residual factors for all reflections included in the refinement	0.0868
Goodness-of-fit parameter for all reflections included in the refinement	0.965
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
179708 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/11.	7001183.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001183.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001183.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001183.cif