Crystallography Open Database

Information card for entry 7226581

Preview

Coordinates	7226581.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H17 Hg N S2
Calculated formula	C13 H17 Hg N S2
SMILES	[Hg]1(SC(=[S]1)N1CCC(C)CC1)c1ccccc1
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	8.799 ± 0.005 Å
b	15.123 ± 0.009 Å
c	11.633 ± 0.007 Å
α	90°
β	108.238 ± 0.009°
γ	90°
Cell volume	1470.2 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0679
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.1111
Goodness-of-fit parameter for all reflections included in the refinement	0.962
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.	7226581.cif
186626	2016-09-17	cif/ Adding structures of 7226579, 7226580, 7226581, 7226582, 7226583, 7226584 via cif-deposit CGI script.	7226581.cif