Crystallography Open Database

Information card for entry 4325499

Preview

Coordinates	4325499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H22 N5 O14 Sm Zn
Calculated formula	C19 H20 N5 O14 Sm Zn
SMILES	C[O]1c2cccc3c2[O]2[Sm]45671([O]=N(O5)=O)([O]=N(O7)=O)([O]1c5c(C=[N]6CCC[N](=C3)[Zn]216[OH2])cccc5[O]4C)ON(=[O]6)=O
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	8.9838 ± 0.0003 Å
b	29.4974 ± 0.0013 Å
c	10.1127 ± 0.0004 Å
α	90°
β	103.122 ± 0.003°
γ	90°
Cell volume	2609.88 ± 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0701
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1373
Weighted residual factors for all reflections included in the refinement	0.1447
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
179357 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/54.	4325499.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325499.cif
44569	2012-03-16	../uploads/cif-deposit/cod/cif Adding structures of 4325499 via cif-deposit CGI script.	4325499.cif