Crystallography Open Database

Information card for entry 7203027

7203026 << 7203027 >> 7203028

Preview

Coordinates	7203027.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Y(BA)3(H2O)(DMF)]2
Chemical name	bis[(aqua)tris(benzoato)(dimethylformamide)yttrium(III)]
Formula	C48 H48 N2 O16 Y2
Calculated formula	C48 H48 N2 O16 Y2
Title of publication	Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium
Authors of publication	Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.
Journal of publication	CrystEngComm
Year of publication	2007
Journal volume	9
Journal issue	11
Pages of publication	1110
a	11.5806 ± 0.0006 Å
b	8.3012 ± 0.0012 Å
c	24.9731 ± 0.0007 Å
α	90°
β	101.617 ± 0.006°
γ	90°
Cell volume	2351.6 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0922
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1128
Weighted residual factors for all reflections included in the refinement	0.123
Goodness-of-fit parameter for all reflections included in the refinement	0.88
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
180361 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/30.	7203027.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203027.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203027.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7203027.cif
1188	2010-06-06	cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories.	7203027.cif