Crystallography Open Database

Information card for entry 7037780

Preview

Coordinates	7037780.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H29 F3 N4 O4 Pd S
Calculated formula	C25 H29 F3 N4 O4 Pd S
SMILES	[Pd]12([n]3c(c4[n]2cccc4)cccc3)[N](=C(OCc2c1cccc2)NC(C)C)C(C)C.S(=O)(=O)([O-])C(F)(F)F
Title of publication	Reactivity towards nitriles, cyanamides, and carbodiimides of palladium complexes derived from benzyl alcohol. Synthesis of a mixed Pd2Ag complex.
Authors of publication	Fernández-Rodríguez, María-José; Martínez-Viviente, Eloísa; Vicente, José; Jones, Peter G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	45
Journal issue	2
Pages of publication	820 - 830
a	7.972 ± 0.0002 Å
b	17.9802 ± 0.0005 Å
c	36.9522 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	5296.7 ± 0.2 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.042
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0599
Weighted residual factors for all reflections included in the refinement	0.0619
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
171866 (current)	2016-01-01	cif/ Adding structures of 7037779, 7037780, 7037781, 7037782, 7037783 via cif-deposit CGI script.	7037780.cif