Crystallography Open Database

Information card for entry 7235260

Preview

Coordinates	7235260.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 N6 Pd S2
Calculated formula	C18 H20 N6 Pd S2
Title of publication	Controlled interaction of benzaldehyde thiosemicarbazones with palladium: formation of bis-complexes with cis-geometry and organopalladium complexes, and their catalytic application in C‒C and C‒N coupling
Authors of publication	Dutta, Jayita; Bhattacharya, Samaresh
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	27
Pages of publication	10707
a	17.313 ± 0.0007 Å
b	13.4192 ± 0.0006 Å
c	19.7406 ± 0.0009 Å
α	90°
β	115.153 ± 0.002°
γ	90°
Cell volume	4151.4 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 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	0.0483
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.1029
Weighted residual factors for all reflections included in the refinement	0.1231
Goodness-of-fit parameter for all reflections included in the refinement	0.849
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
232640 (current)	2019-11-23	cif/ Adding structures of 7235260, 7235261, 7235262, 7235263, 7235264, 7235265 via cif-deposit CGI script.	7235260.cif