Crystallography Open Database

Information card for entry 1571169

Preview

Coordinates	1571169.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis[<i>S</i>-octyl 3-(2-methylpropylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]nickel(II)
Formula	C26 H50 N4 Ni S4
Calculated formula	C26 H50 N4 Ni S4
SMILES	CC(C)C=[N]1[Ni]2(SC(=N1)SCCCCCCCC)[N](=CC(C)C)N=C(S2)SCCCCCCCC
Title of publication	Bis[S-octyl 3-(2-methylpropylidene)dithiocarbazato-κ2 N 3,S]nickel(II)
Authors of publication	Khan, Sultana Shakila; Howlader, Md. Belayet Hossain; Sheikh, Md. Chanmiya; Miyatake, Ryuta; Zangrando, Ennio
Journal of publication	IUCrData
Year of publication	2024
Journal volume	9
Journal issue	3
Pages of publication	x240186
a	11.5962 ± 0.0004 Å
b	18.4606 ± 0.0005 Å
c	7.8973 ± 0.0002 Å
α	90°
β	106.532 ± 0.007°
γ	90°
Cell volume	1620.71 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0549
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0672
Weighted residual factors for all reflections included in the refinement	0.0723
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300370 (current)	2025-07-05	Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	1571169.cif
290379	2024-03-07	cif/ Adding structures of 1571169 via cif-deposit CGI script.	1571169.cif