Crystallography Open Database

Information card for entry 7226582

Preview

Coordinates	7226582.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H37 Cl3 Co N3 S6
Calculated formula	C22 H37 Cl3 Co N3 S6
SMILES	[Co]123([S]=C(S1)N1CCC(CC1)C)([S]=C(S2)N1CCC(CC1)C)[S]=C(S3)N1CCC(CC1)C.ClC(Cl)Cl
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	10.2666 ± 0.0002 Å
b	12.0914 ± 0.0004 Å
c	14.7203 ± 0.0005 Å
α	113.488 ± 0.003°
β	94.486 ± 0.002°
γ	105.773 ± 0.002°
Cell volume	1576.39 ± 0.09 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1269
Weighted residual factors for all reflections included in the refinement	0.1288
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7226582.cif
186626	2016-09-17	cif/ Adding structures of 7226579, 7226580, 7226581, 7226582, 7226583, 7226584 via cif-deposit CGI script.	7226582.cif