Crystallography Open Database

Information card for entry 7201035

7201034 << 7201035 >> 7201036

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Coordinates	7201035.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Pentasodium tris(2,2?-oxydiacetato)-dysprosium(iii) bis(tetrafluoroborate) hexahydrate
Chemical name	Pentasodium tris(2,2?-oxydiacetato)-dysprosium(III) bis(tetrafluoroborate) hexahydrate
Formula	C12 H24 B2 Dy F8 Na5 O21
Calculated formula	C12 H12 B2 Dy F8 Na5 O21
SMILES	[B](F)(F)(F)[F-].C1(C[O]2[Dy]3456(O1)([O](CC(=O)O3)CC(=O)O6)([O](CC(=O)O4)CC(=O)O5)OC(=O)C2)=O.[Na+].O.[Na+].O.O.[B](F)(F)(F)[F-].O.O.[Na+].O.[Na+].[Na+]
Title of publication	Total spontaneous resolution of nine-coordinate complexes
Authors of publication	Lennartson, Anders; Håkansson, Mikael
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	9
Pages of publication	1979
a	9.638 ± 0.002 Å
b	9.638 ± 0.002 Å
c	27.84 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	2239.6 ± 0.9 Å³
Cell temperature	289 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	155
Hermann-Mauguin space group symbol	R 3 2 :H
Hall space group symbol	R 3 2"
Residual factor for all reflections	0.0257
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0554
Weighted residual factors for all reflections included in the refinement	0.0555
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation probe	x-ray
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
180341 (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 7/20/10.	7201035.cif
129439	2015-01-07	cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ \| codid2file \ \| xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'\|\\?\|none)/_exptl_crystal_density_method ./i"	7201035.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7201035.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7201035.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7201035.cif