Crystallography Open Database

Information card for entry 4088588

Preview

Coordinates	4088588.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H48 B Cl4 F15 N2 Pd
Calculated formula	C54 H44 B F15 N2 Pd
Title of publication	Palladium(II) Complexes with Anionic N-Heterocyclic Carbene‒Borate Ligands as Catalysts for the Amination of Aryl Halides
Authors of publication	Winkler, Andrea; Brandhorst, Kai; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	8
Pages of publication	1160
a	17.6278 ± 0.0008 Å
b	15.967 ± 0.0006 Å
c	20.3148 ± 0.0008 Å
α	90°
β	106.754 ± 0.004°
γ	90°
Cell volume	5475.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0689
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1169
Weighted residual factors for all reflections included in the refinement	0.1252
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
237690 (current)	2019-11-24	cif/ Adding structures of 4088585, 4088586, 4088587, 4088588, 4088589, 4088590, 4088591, 4088592 via cif-deposit CGI script.	4088588.cif