Crystallography Open Database

Information card for entry 4325498

Preview

Coordinates	4325498.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H22 N5 O14 Pr Zn
Calculated formula	C19 H22 N5 O14 Pr Zn
SMILES	[N]12=Cc3cccc4[O](C)[Pr]56789([O](c34)[Zn]32([N](CCC1)=Cc1cccc([O]6C)c1[O]53)[OH2])(ON(=[O]7)=O)(ON(=[O]8)=O)ON(=[O]9)=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	8.8636 ± 0.0003 Å
b	28.9754 ± 0.0007 Å
c	10.1774 ± 0.0004 Å
α	90°
β	102.853 ± 0.004°
γ	90°
Cell volume	2548.33 ± 0.15 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	0.0322
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for all reflections	0.022
Weighted residual factors for significantly intense reflections	0.0216
Weighted residual factors for all reflections included in the refinement	0.0213
Goodness-of-fit parameter for all reflections included in the refinement	1.1648
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.	4325498.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325498.cif
44568	2012-03-16	../uploads/cif-deposit/cod/cif Adding structures of 4325498 via cif-deposit CGI script.	4325498.cif