Crystallography Open Database

Information card for entry 1569224

Preview

Coordinates	1569224.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H41 Br2 F5 N2 Pd
Calculated formula	C27 H41 Br2 F5 N2 Pd
Title of publication	Palladium mono-<i>N</i>-protected amino acid complexes: experimental validation of the ligand cooperation model in C-H activation.
Authors of publication	Fernández-Moyano, Sara; Salamanca, Vanesa; Albéniz, Ana C
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	24
Pages of publication	6688 - 6694
a	9.8832 ± 0.0012 Å
b	10.4913 ± 0.0012 Å
c	16.8579 ± 0.0014 Å
α	75.651 ± 0.009°
β	87.092 ± 0.008°
γ	71.514 ± 0.01°
Cell volume	1605.3 ± 0.3 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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	0.0833
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1674
Weighted residual factors for all reflections included in the refinement	0.2009
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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/1569224.html