Crystallography Open Database

Information card for entry 7226580

Preview

Coordinates	7226580.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H26 N2 S4
Calculated formula	C15 H26 N2 S4
SMILES	S(C(=S)N1CCC(CC1)C)CSC(=S)N1CCC(C)CC1
Title of publication	Ag(I), Cu(II), Co(III), Hg(II) complexes and metal assisted products derived from 4-methyl-piperidine-carbodithioate: Synthesis, structures, thermal analysis, redox behaviour and fluorescence properties
Authors of publication	Bharty, M. K.; Nath, Paras; Singh, Nand Kishor; Maiti, Biswajit; Bharty, A.; Butcher, R. J; Wikaira, Jan L.
Journal of publication	RSC Advances
Year of publication	2016
Journal volume	6
Journal issue	96
Pages of publication	93867 - 93880
a	8.8763 ± 0.0015 Å
b	10.0172 ± 0.0017 Å
c	11.405 ± 0.002 Å
α	87.26 ± 0.015°
β	74.873 ± 0.016°
γ	76.569 ± 0.014°
Cell volume	952.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1396
Residual factor for significantly intense reflections	0.0936
Weighted residual factors for significantly intense reflections	0.3293
Weighted residual factors for all reflections included in the refinement	0.3757
Goodness-of-fit parameter for all reflections included in the refinement	0.837
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
264413 (current)	2021-04-22	cif/7/22/65/ Updated bibliographic information in entries 7226579-7226584.	7226580.cif
205752	2018-01-26	cif/7 Fixing some Z values and formulae	7226580.cif
186626	2016-09-17	cif/ Adding structures of 7226579, 7226580, 7226581, 7226582, 7226583, 7226584 via cif-deposit CGI script.	7226580.cif