Crystallography Open Database

Information card for entry 7235262

Preview

Coordinates	7235262.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 N6 O2 Pd S2
Calculated formula	C18 H20 N6 O2 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	17.767 ± 0.005 Å
b	13.134 ± 0.004 Å
c	8.83 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2060.5 ± 1.1 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0528
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0738
Weighted residual factors for all reflections included in the refinement	0.0808
Goodness-of-fit parameter for all reflections included in the refinement	0.885
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.	7235262.cif