Crystallography Open Database

Information card for entry 7716919

Preview

Coordinates	7716919.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H26 N6 S2
Calculated formula	C16 H26 N6 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	17.0619 ± 0.0009 Å
b	9.7583 ± 0.0003 Å
c	21.8947 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3645.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.032
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.0739
Weighted residual factors for all reflections included in the refinement	0.0758
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
295275 (current)	2024-10-06	cif/ Updating files of 7716919, 7716920, 7716921, 7716922, 7716923 Original log message: Adding full bibliography for 7716919--7716923.cif.	7716919.cif
294258	2024-08-29	cif/ Adding structures of 7716919, 7716920, 7716921, 7716922, 7716923 via cif-deposit CGI script.	7716919.cif