Crystallography Open Database

Information card for entry 4335250

Preview

Coordinates	4335250.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H27 Dy N4 Ni O12
Calculated formula	C22 H21 Dy N4 Ni O12
Title of publication	Carbonato-Bridged NiII2LnIII2 (LnIII= GdIII, TbIII, DyIII) Complexes Generated by Atmospheric CO2 Fixation and Their Single-Molecule-Magnet Behavior: [(μ4-CO3)2{NiII(3-MeOsaltn)(MeOH or H2O)LnIII(NO3)}2].solvent [3-MeOsaltn =N,N'-Bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato]
Authors of publication	Soichiro Sakamoto; Takeshi Fujinami; Koshiro Nishi; Naohide Matsumoto; Naotaka Mochida; Takayuki Ishida; Yukinari Sunatsuki; Nazzareno Re
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7218 - 7229
a	12.3437 ± 0.0008 Å
b	12.41 ± 0.0007 Å
c	17.3181 ± 0.0009 Å
α	90°
β	101.05 ± 0.0015°
γ	90°
Cell volume	2603.7 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for all reflections included in the refinement	0.1644
Goodness-of-fit parameter for all reflections included in the refinement	1.184
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179455 (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 4/33/52.	4335250.cif
101159	2014-02-10	cif/ Adding structures of 4335250 via cif-deposit CGI script.	4335250.cif