Crystallography Open Database

Information card for entry 4326417

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Coordinates	4326417.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H45 Dy2 N9 O24
Calculated formula	C30 H23 Dy2 N9 O24
SMILES	c12cccc[n]2[Dy]2345([O]6[Dy]789([N](=Cc%10c(c(ccc%10)OC)O9)N=C16)([O]5c1c(C=[N]2NC(c2ccccn2)=[O]4)cccc1[O]7C)(ON(=[O]8)=O)([OH2])[OH2])(ON(=[O]3)=O)([OH2])[OH2].N(=O)(=O)[O-].O.O.O.OC.OC
Title of publication	Modulating Magnetic Dynamics of Three Dy2 Complexes through Keto-Enol Tautomerism of the o-Vanillin Picolinoylhydrazone Ligand
Authors of publication	Yun-Nan Guo; Xiao-Hua Chen; Shufang Xue; Jinkui Tang
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	9705 - 9713
a	10.335 ± 0.002 Å
b	16.368 ± 0.003 Å
c	27.235 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4607.2 ± 1.5 Å³
Cell temperature	191 ± 2 K
Ambient diffraction temperature	191 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0567
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.0972
Weighted residual factors for all reflections included in the refinement	0.1038
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
179367 (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 4/32/64.	4326417.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326417.cif
48588	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4326417 via cif-deposit CGI script.	4326417.cif