Crystallography Open Database

Information card for entry 7245986

Preview

Coordinates	7245986.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis(N-butylpyridinium) tetrachloridonickelate(II)
Formula	C18 H28 Cl4 N2 Ni
Calculated formula	C18 H28 Cl4 N2 Ni
SMILES	c1cccc[n+]1CCCC.c1cccc[n+]1CCCC.Cl[Ni](Cl)([Cl-])[Cl-]
Title of publication	Mixed chloridometallate(ii) ionic liquids with tunable color and optical response for potential ammonia sensors
Authors of publication	Behrens, Karsten; Balischewski, Christian; Sperlich, Eric; Menski, Antonia; Balderas-Valadez, Ruth Fabiola; Pacholski, Claudia; Günter, Christina; Lubahn, Susanne; Kelling, Alexandra; Taubert, Andreas
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	54
Pages of publication	35072 - 35082
a	15.4965 ± 0.0003 Å
b	18.4666 ± 0.0004 Å
c	16.7917 ± 0.0003 Å
α	90°
β	110.529 ± 0.001°
γ	90°
Cell volume	4500.08 ± 0.16 Å³
Cell temperature	210 ± 2 K
Ambient diffraction temperature	210 ± 2 K
Number of distinct elements	5
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	0.0304
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0703
Weighted residual factors for all reflections included in the refinement	0.0721
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
279815 (current)	2022-12-09	cif/ Adding structures of 7245985, 7245986, 7245987 via cif-deposit CGI script.	7245986.cif