Crystallography Open Database

Information card for entry 7051739

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Coordinates	7051739.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H40 N9 Nd O14 Zn2
Calculated formula	C42 H38 N9 Nd O14 Zn2
SMILES	[Nd]1234([O]5[Zn]67([N](CC[N]6=Cc6c5cccc6)=Cc5c(cccc5)[O]17)[n]1ccccc1)([O]1[Zn]56([N](=Cc7ccccc17)CC[N]5=Cc1c([O]26)cccc1)[n]1ccccc1)(ON(=[O]3)=O)(ON(=O)=O)[O]=N(=O)O4.O
Title of publication	Hetero-trinuclear near-infrared (NIR) luminescent Zn2Ln complexes from Salen-type Schiff-base ligands
Authors of publication	Bi, Weiyu; Wei, Tao; Lü, Xingqiang; Hui, Yani; Song, Jirong; Zhao, Shunsheng; Wong, Wai-Kwok; Jones, Richard A.
Journal of publication	New Journal of Chemistry
Year of publication	2009
Journal volume	33
Journal issue	11
Pages of publication	2326
a	21.4029 ± 0.0004 Å
b	11.2947 ± 0.0003 Å
c	18.8883 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4566.05 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0505
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1296
Weighted residual factors for all reflections included in the refinement	0.1332
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180071 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/17.	7051739.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7051739.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7051739.cif
1161	2010-05-08	cif/7/ Adding data from New-J-Chem-2009/.	7051739.cif