Crystallography Open Database

Information card for entry 4348475

Preview

Coordinates	4348475.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H30 B Cl F4 N2 O Pd
Calculated formula	C22 H30 B0.999 Cl F3.996 N2 O Pd
Title of publication	Reversible Redox Chemistry and Catalytic C(sp(3))-H Amination Reactivity of a Paramagnetic Pd Complex Bearing a Redox-Active o-Aminophenol-Derived NNO Pincer Ligand.
Authors of publication	Broere, Daniël L J; van Leest, Nicolaas P.; de Bruin, Bas; Siegler, Maxime A.; van der Vlugt, Jarl Ivar
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	17
Pages of publication	8603 - 8611
a	7.3768 ± 0.0004 Å
b	12.0798 ± 0.0007 Å
c	15.1667 ± 0.0009 Å
α	93.531 ± 0.003°
β	89.979 ± 0.004°
γ	107.76 ± 0.003°
Cell volume	1284.41 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0518
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0628
Weighted residual factors for all reflections included in the refinement	0.0679
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
232978 (current)	2019-11-23	cif/ Adding structures of 4348475 via cif-deposit CGI script.	4348475.cif