Crystallography Open Database

Information card for entry 4348969

Preview

Coordinates	4348969.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H30 Cl3 Eu N8 O6
Calculated formula	C28 H30 Cl3 Eu N8 O6
SMILES	[Eu]123456([O]=c7[nH]cccc7C=[N]2CC[N]3=Cc2c(=[O]1)[nH]ccc2)[N](=Cc1c([nH]ccc1)=[O]6)CC[N]5=Cc1c(=[O]4)[nH]ccc1.[Cl-].O.[Cl-].[Cl-].O
Title of publication	A bis(1H-pyridin-2-one)salen Eu(iii) complex for vapoluminescence sensing
Authors of publication	Shu, Yu-Bo; Liu, Wei-Sheng
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2015
Journal volume	2
Journal issue	10
Pages of publication	927
a	15.4368 ± 0.0013 Å
b	18.1268 ± 0.0007 Å
c	13.4833 ± 0.0008 Å
α	90°
β	119.572 ± 0.008°
γ	90°
Cell volume	3281.4 ± 0.4 Å³
Cell temperature	80 ± 2 K
Ambient diffraction temperature	80 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0672
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1379
Weighted residual factors for all reflections included in the refinement	0.1437
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
233517 (current)	2019-11-23	cif/ Adding structures of 4348969 via cif-deposit CGI script.	4348969.cif