Crystallography Open Database

Information card for entry 4348807

Preview

Coordinates	4348807.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H32 Dy N10 Ni O10 W
Calculated formula	C27 H26 Dy N10 Ni O10 W
SMILES	C[O]1c2cccc3c2[O]2[Dy]41([O]5[Ni]12([N](=C3)CCC[N]1=Cc1cccc(c15)[O]4C)([N]#C[W](C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#N)[OH2])([OH2])([OH2])([OH2])[OH2].O
Title of publication	Synthesis, Crystal Structures, Magnetic Properties, and Theoretical Investigation of a New Series of Ni<sup>II</sup>-Ln<sup>III</sup>-W<sup>V</sup> Heterotrimetallics: Understanding the SMM Behavior of Mixed Polynuclear Complexes.
Authors of publication	Vieru, Veacheslav; Pasatoiu, Traian D.; Ungur, Liviu; Suturina, Elizaveta; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius; Chibotaru, Liviu F.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	23
Pages of publication	12158 - 12171
a	8.952 ± 0.0002 Å
b	13.9264 ± 0.0003 Å
c	27.3934 ± 0.0006 Å
α	90°
β	93.261 ± 0.002°
γ	90°
Cell volume	3409.58 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0454
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1033
Weighted residual factors for all reflections included in the refinement	0.1065
Goodness-of-fit parameter for all reflections included in the refinement	1.191
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
233375 (current)	2019-11-23	cif/ Adding structures of 4348807 via cif-deposit CGI script.	4348807.cif