Crystallography Open Database

Information card for entry 4335248

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Structure parameters

Formula	C22 H27 Gd N4 Ni O12
Calculated formula	C22 H27 Gd 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	12.3577 ± 0.0007 Å
b	12.5279 ± 0.0006 Å
c	17.2961 ± 0.0008 Å
α	90°
β	101.172 ± 0.0014°
γ	90°
Cell volume	2627 ± 0.2 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	0.0349
Weighted residual factors for all reflections included in the refinement	0.119
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4335248.cif
179455	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.	4335248.cif
101157	2014-02-10	cif/ Adding structures of 4335248 via cif-deposit CGI script.	4335248.cif