Crystallography Open Database

Information card for entry 4334512

Preview

Coordinates	4334512.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H42 Eu2 N18 O15
Calculated formula	C48 H42 Eu2 N18 O15
SMILES	[Eu]1234567([O]8[Eu]9%10%11%12([n]%13c(C8(N[N]2=C(c2[n]1cccc2)c1ncccc1)c1[n]%11cccc1)cccc%13)([O]3C(N[N]5=C(c1[n]4cccc1)c1ncccc1)(c1[n]%12cccc1)c1[n]%10cccc1)(ON(=[O]9)=O)[OH2])(ON(=[O]6)=O)ON(=[O]7)=O.N(=O)(=O)[O-].N#CC.N#CC
Title of publication	Dinuclear Lanthanide(III) Complexes by Metal-Ion-Assisted Hydration of Di-2-pyridyl Ketone Azine
Authors of publication	Nikolaos C. Anastasiadis; Carlos M. Granadeiro; Nikolaos Klouras; Luís Cunha-Silva; Catherine P. Raptopoulou; Vassilis Psycharis; Vlasoula Bekiari; Salete S. Balula; Albert Escuer; Spyros P. Perlepes
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	4145 - 4147
a	12.239 ± 0.0002 Å
b	17.4002 ± 0.0003 Å
c	24.9997 ± 0.0005 Å
α	90°
β	94.405 ± 0.001°
γ	90°
Cell volume	5308.24 ± 0.16 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 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	0.0914
Residual factor for significantly intense reflections	0.0734
Weighted residual factors for significantly intense reflections	0.1285
Weighted residual factors for all reflections included in the refinement	0.142
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179448 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/45.	4334512.cif
100340	2014-02-04	cif/ Adding structures of 4334512 via cif-deposit CGI script.	4334512.cif