Crystallography Open Database

Information card for entry 4336660

Preview

Coordinates	4336660.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H57 Gd2 N6 O22.5 Zn2
Calculated formula	C46 H43 Gd2 N6 O22.5 Zn2
Title of publication	Synthesis, Structure, Luminescent, and Magnetic Properties of Carbonato-Bridged ZnII2LnIII2 Complexes [(μ4-CO3)2{ZnIILnLnIII(NO3)}2] (LnIII= GdIII, TbIII, DyIII; L1=N,N'-Bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato, L2=N,N'-Bis(3-ethoxy-2-oxybenzylidene)-1,3-propanediaminato)
Authors of publication	Kiyomi Ehama; Yusuke Ohmichi; Soichiro Sakamoto; Takeshi Fujinami; Naohide Matsumoto; Naotaka Mochida; Takayuki Ishida; Yukinari Sunatsuki; Masanobu Tsuchimoto; Nazzareno Re
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	12828 - 12841
a	10.3463 ± 0.0011 Å
b	13.746 ± 0.0017 Å
c	19.048 ± 0.0019 Å
α	83.849 ± 0.004°
β	80.98 ± 0.003°
γ	83.788 ± 0.004°
Cell volume	2648.6 ± 0.5 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.2227
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4336660.cif
102667	2014-02-21	cif/ Adding structures of 4336660 via cif-deposit CGI script.	4336660.cif