Crystallography Open Database

Information card for entry 1543510

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Coordinates	1543510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H40 N6 Ni S2
Calculated formula	C18 N6 Ni S2
SMILES	[Ni]12(N=C=S)([NH](CC[NH]1CCC)CCC)([NH](CC[NH]2CCC)CCC)N=C=S
Title of publication	Syntheses and Characterization of N,N'-Dipropyl-1,2-ethanediamine and N,N'-diisopropyl-1,2-ethanediamine Complexes of Nickel(II): Thermal Studies and X-Ray Single Crystal Structure Analysis of [Ni(N,N'-Dipropyl-1,2-ethanediamine)2(NCS)2]
Authors of publication	Laskar, Inamur Rahaman; Das, Debasis; Mostafa, Golam; Welch, Alan J.; Chaudhuri, Nirmalendu Ray
Journal of publication	Acta Chemica Scandinavica
Year of publication	1998
Journal volume	52
Pages of publication	702 - 708
a	9.246 ± 0.009 Å
b	9.2633 ± 0.0005 Å
c	14.465 ± 0.0008 Å
α	90°
β	92.082 ± 0.005°
γ	90°
Cell volume	1238.1 ± 1.2 Å³
Ambient diffraction temperature	293 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	0.0606
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0835
Weighted residual factors for all reflections included in the refinement	0.0947
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation probe	x-ray
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
183885 (current)	2016-06-23	cif/ Adding structures of 1543510 via cif-deposit CGI script.	1543510.cif