Crystallography Open Database

Information card for entry 7206682

7206681 << 7206682 >> 7206683

Preview

Coordinates	7206682.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 N6 O6
Calculated formula	C18 H20 N6 O6
SMILES	O=N(=O)[O-].O=N(=O)[O-].[nH+]1cc(NCc2cc(ccc2)CNc2c[nH+]ccc2)ccc1
Title of publication	Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts
Authors of publication	Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	22
Pages of publication	6632
a	8.2787 ± 0.0017 Å
b	16.705 ± 0.003 Å
c	13.977 ± 0.003 Å
α	90°
β	98.07 ± 0.03°
γ	90°
Cell volume	1913.8 ± 0.7 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1954
Residual factor for significantly intense reflections	0.0899
Weighted residual factors for significantly intense reflections	0.1716
Weighted residual factors for all reflections included in the refinement	0.2192
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180397 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/66.	7206682.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206682.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206682.cif
29982	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 7206679, 7206680, 7206681, 7206682, 7206683, 7206684, 7206685, 7206686 via cif-deposit CGI script.	7206682.cif