Crystallography Open Database

Information card for entry 7245985

Preview

Coordinates	7245985.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis(N-butylpyridinium) tetrachlorido-0.5-cobaltate(II)-0.5-nickelate(II)
Formula	C36 H56 Cl8 Co N4 Ni
Calculated formula	C36 H56 Cl8 Co N4 Ni
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	15.3911 ± 0.0004 Å
b	18.7389 ± 0.0005 Å
c	16.7383 ± 0.0004 Å
α	90°
β	110.494 ± 0.002°
γ	90°
Cell volume	4522 ± 0.2 Å³
Cell temperature	210 ± 2 K
Ambient diffraction temperature	210 ± 2 K
Number of distinct elements	6
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	0.0409
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.0561
Weighted residual factors for all reflections included in the refinement	0.0598
Goodness-of-fit parameter for all reflections included in the refinement	0.923
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7245985.cif