Crystallography Open Database

Information card for entry 7002803

Preview

Coordinates	7002803.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H6 Er O8
Calculated formula	C8 H6 Er O8
Title of publication	Rare earth metal squarates incorporating ethylene glycol ligand with a three-dimensional framework structure: RE(C4O4)1.5(C2H6O2) (RE = Y, La‒Nd, Sm‒Lu)
Authors of publication	Liu, Yen-Shen; Tang, Ming-Feng; Lii, Kwang-Hwa
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	44
Pages of publication	9781 - 9786
a	12.7172 ± 0.0005 Å
b	12.0666 ± 0.0005 Å
c	12.519 ± 0.0005 Å
α	90°
β	99.121 ± 0.002°
γ	90°
Cell volume	1896.79 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.02
Residual factor for significantly intense reflections	0.0187
Weighted residual factors for significantly intense reflections	0.0481
Weighted residual factors for all reflections included in the refinement	0.0489
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
179732 (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 7/00/28.	7002803.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7002803.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002803.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002803.cif