Crystallography Open Database

Information card for entry 4128307

Preview

Coordinates	4128307.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79.5 H54 B Cl F24 O P2 Pd
Calculated formula	C79.5 H54 B Cl F24 O P2 Pd
Title of publication	Silylpalladium Cations Enable the Oxidative Addition of C(sp<sup>3</sup>)-O Bonds.
Authors of publication	Wierschen, Andreas L.; Romano, Neyen; Lee, Stephen J.; Gagné, Michel R
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	40
Pages of publication	16024 - 16032
a	14.6401 ± 0.0003 Å
b	17.2051 ± 0.0004 Å
c	17.93 ± 0.0004 Å
α	115.267 ± 0.0013°
β	96.9948 ± 0.0016°
γ	103.786 ± 0.0018°
Cell volume	3836 ± 0.17 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0751
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for all reflections	0.1781
Weighted residual factors for significantly intense reflections	0.1709
Weighted residual factors for all reflections included in the refinement	0.1781
Goodness-of-fit parameter for all reflections included in the refinement	1.0248
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
221430 (current)	2019-11-03	cif/ Adding structures of 4128307 via cif-deposit CGI script.	4128307.cif