Crystallography Open Database

Information card for entry 4329646

Preview

Coordinates	4329646.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H126 Gd2 N14 Ni2 O34 Ru2
Calculated formula	C80 H126 Gd2 N14 Ni2 O34 Ru2
Title of publication	Diphenoxo-Bridged NiIILnIII Dinuclear Complexes as Platforms for Heterotrimetallic (LnIIINiII)2RuIII Systems with a High-Magnetic-Moment Ground State: Synthesis, Structure, and Magnetic Properties
Authors of publication	María A. Palacios; Antonio J. Mota; José Ruiz; Mikko M. Hänninen; Reijo Sillanpää; Enrique Colacio
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	7010 - 7012
a	13.3028 ± 0.0003 Å
b	14.1505 ± 0.0004 Å
c	14.5614 ± 0.0005 Å
α	67.05 ± 0.001°
β	89.343 ± 0.002°
γ	80.572 ± 0.002°
Cell volume	2485.85 ± 0.13 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0466
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0964
Weighted residual factors for all reflections included in the refinement	0.1015
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179399 (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 4/32/96.	4329646.cif
78703	2013-04-02	cif/ Adding structures of 4329646 via cif-deposit CGI script.	4329646.cif