Crystallography Open Database

Information card for entry 2243034

Preview

Coordinates	2243034.cif
Structure factors	2243034.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Dichlorido({6,6'-[(ethane-1,2-diylbis(methylazanediyl)]bis(methylene)}bis(2,4-di-<i>tert</i>-butylphenol))palladium(II) chlorido(2,4-di-<i>tert</i>-butyl-6-{[(2-{[(3,5-di-<i>tert</i>-butyl-2-hydroxyphenyl)methyl](methyl)amino}ethyl)(methyl)amino]methyl}phenolato)palladium(II) methanol 1.685-solvate 0.315-hydrate
Formula	C69.68 H118.37 Cl3 N4 O6 Pd2
Calculated formula	C69.685 H118.37 Cl3 N4 O6 Pd2
Title of publication	Palladium(II) complexes of a bridging amine bis(phenolate) ligand featuring κ^2^ and κ^3^ coordination modes
Authors of publication	Graziano, Brendan J.; Wile, Bradley M.; Zeller, Matthias
Journal of publication	Acta Crystallographica Section E
Year of publication	2019
Journal volume	75
Journal issue	8
Pages of publication	1265 - 1269
a	15.8843 ± 0.0005 Å
b	29.78 ± 0.001 Å
c	16.6629 ± 0.0006 Å
α	90°
β	109.554 ± 0.0012°
γ	90°
Cell volume	7427.6 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0474
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0708
Weighted residual factors for all reflections included in the refinement	0.0759
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
217322 (current)	2019-07-31	cif/ hkl/ Adding structures of 2243034 via cif-deposit CGI script.	2243034.cif 2243034.hkl