Crystallography Open Database

Information card for entry 7716922

Preview

Coordinates	7716922.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H28 N6 Ni S2
Calculated formula	C18 H28 N6 Ni S2
Title of publication	Nickel(ii) complexes with 14-membered bis-thiosemicarbazide and bis-isothiosemicarbazide ligands: synthesis, characterization and catalysis of oxygen evolution reaction
Authors of publication	Besleaga, Iuliana; Fesenko, Anastasia A.; Paul, Anup; Šljukić, Biljana; Rapta, Peter; Pombeiro, Armando J. L.; Shutalev, Anatoly D.; Arion, Vladimir B.
Journal of publication	Dalton Transactions
Year of publication	2024
Journal volume	53
Journal issue	38
Pages of publication	15826 - 15841
a	11.541 ± 0.0002 Å
b	13.7657 ± 0.0002 Å
c	13.0159 ± 0.0002 Å
α	90°
β	103.905 ± 0.001°
γ	90°
Cell volume	2007.24 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0318
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.062
Weighted residual factors for all reflections included in the refinement	0.0639
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
295275 (current)	2024-10-06	cif/ Updating files of 7716919, 7716920, 7716921, 7716922, 7716923 Original log message: Adding full bibliography for 7716919--7716923.cif.	7716922.cif
294258	2024-08-29	cif/ Adding structures of 7716919, 7716920, 7716921, 7716922, 7716923 via cif-deposit CGI script.	7716922.cif