Crystallography Open Database

Information card for entry 7226579

Preview

Coordinates	7226579.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H54 Ag2 N2 P2 S4
Calculated formula	C50 H54 Ag2 N2 P2 S4
SMILES	C1CN(C2[S]3[Ag]4([P](c5ccccc5)(c5ccccc5)c5ccccc5)[S](C(N5CCC(C)CC5)=[S]4)[Ag]3([P](c3ccccc3)(c3ccccc3)c3ccccc3)[S]=2)CCC1C
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	10.538 ± 0.0005 Å
b	10.8294 ± 0.0006 Å
c	11.2159 ± 0.0006 Å
α	78.167 ± 0.005°
β	84.072 ± 0.004°
γ	77.604 ± 0.005°
Cell volume	1221.2 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0646
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1118
Weighted residual factors for all reflections included in the refinement	0.1299
Goodness-of-fit parameter for all reflections included in the refinement	0.968
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.	7226579.cif
186626	2016-09-17	cif/ Adding structures of 7226579, 7226580, 7226581, 7226582, 7226583, 7226584 via cif-deposit CGI script.	7226579.cif