Crystallography Open Database

Information card for entry 4325502

Preview

Coordinates	4325502.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H20 Dy N5 O14 Zn
Calculated formula	C19 H20 Dy N5 O14 Zn
SMILES	[N]12[Zn]34([N](CCC2)=Cc2cccc5[O]([Dy]6789([O](c%10c([O]36)c(ccc%10)C=1)C)([O]4c25)(ON(=[O]7)=O)(ON(=[O]8)=O)ON(=[O]9)=O)C)[OH2]
Title of publication	Study of the Luminescent and Magnetic Properties of a Series of Heterodinuclear [ZnIILnIII] Complexes
Authors of publication	Traian D. Pasatoiu; Carmen Tiseanu; Augustin M. Madalan; Bogdan Jurca; Carine Duhayon; Jean Pascal Sutter; Marius Andruh
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	5879 - 5889
a	8.8412 ± 0.0002 Å
b	29.0027 ± 0.001 Å
c	10.0702 ± 0.0003 Å
α	90°
β	103.294 ± 0.003°
γ	90°
Cell volume	2512.99 ± 0.13 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	6
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	0.0339
Residual factor for significantly intense reflections	0.0182
Weighted residual factors for all reflections	0.025
Weighted residual factors for significantly intense reflections	0.0212
Weighted residual factors for all reflections included in the refinement	0.0212
Goodness-of-fit parameter for all reflections included in the refinement	1.1099
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4325502.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325502.cif
44572	2012-03-16	../uploads/cif-deposit/cod/cif Adding structures of 4325502 via cif-deposit CGI script.	4325502.cif