Crystallography Open Database

Information card for entry 7002407

Preview

Coordinates	7002407.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H26 Cl4 F6 P2 Pd
Calculated formula	C38 H26 Cl4 F6 P2 Pd
SMILES	[Pd]([P](c1ccccc1)(c1ccccc1)C)([P](c1ccccc1)(c1ccccc1)C)(c1c(F)c(Cl)c(F)c(Cl)c1F)c1c(F)c(Cl)c(F)c(Cl)c1F
Title of publication	Enthalpy of ligand substitution in cis organopalladium complexes with monodentate ligands
Authors of publication	Salas, Gorka; Casares, Juan A.; Espinet, Pablo
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	39
Pages of publication	8413 - 8420
a	11.33 ± 0.003 Å
b	12.578 ± 0.004 Å
c	15.373 ± 0.005 Å
α	70.502 ± 0.005°
β	85.855 ± 0.005°
γ	64.014 ± 0.005°
Cell volume	1849.3 ± 1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0285
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.0647
Weighted residual factors for all reflections included in the refinement	0.0676
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7002407.html