Crystallography Open Database

Information card for entry 2311548

Preview

Coordinates	2311548.cif
Original IUCr paper	HTML

Structure parameters

Common name	2,2':6',2''-Terpyridine-1,1',1''-triium tetrachloridonickelate(II) chloride
Formula	C15 H14 Cl5 N3 Ni
Calculated formula	C15 H14 Cl5 N3 Ni
SMILES	[nH+]1ccccc1c1[nH+]c(ccc1)c1[nH+]cccc1.[Ni](Cl)(Cl)([Cl-])[Cl-].[Cl-]
Title of publication	Crystal structure, thermal and fluorescence properties of 2,2':6',2''-terpyridine-1,1',1''-triium tetra-chlorido-nickelate(II) chloride.
Authors of publication	Zeghouan, Ouahida; Bendjeddou, Lamia; Merazig, Hocine; Daran, Jean Claude
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 12
Pages of publication	1937 - 1941
a	6.689 ± 0.005 Å
b	13.809 ± 0.005 Å
c	10.62 ± 0.005 Å
α	90°
β	101.271 ± 0.005°
γ	90°
Cell volume	962 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0899
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1309
Weighted residual factors for all reflections included in the refinement	0.1495
Goodness-of-fit parameter for all reflections included in the refinement	1.148
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
245973 (current)	2019-12-25	cif/ Adding structures of 2311548 via cif-deposit CGI script.	2311548.cif