Crystallography Open Database

Information card for entry 7054769

Preview

Coordinates	7054769.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	rac-bis(hexafluoroacetylacetonato)(tris(o-tolyl)phosphino)palladium(II)
Formula	C31 H23 F12 O4 P Pd
Calculated formula	C31 H23 F12 O4 P Pd
SMILES	C(C(=O)/C=C(C(F)(F)F)\O[Pd]1(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)[P](c1c(cccc1)C)(c1c(cccc1)C)c1c(cccc1)C)(F)(F)F
Title of publication	A missing link between chiral four- and five-coordinate complexes
Authors of publication	Lennartson, Anders; Håkansson, Mikael
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	5
Pages of publication	3353
a	11.351 ± 0.0014 Å
b	14.4276 ± 0.0017 Å
c	19.814 ± 0.002 Å
α	90°
β	95.639 ± 0.005°
γ	90°
Cell volume	3229.2 ± 0.6 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0237
Residual factor for significantly intense reflections	0.0208
Weighted residual factors for significantly intense reflections	0.053
Weighted residual factors for all reflections included in the refinement	0.0539
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180101 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/47.	7054769.cif
138793	2015-06-07	cif/ Updating files of 7054768, 7054769 Original log message: Adding full bibliography for 7054768--7054769.cif.	7054769.cif
134177	2015-03-20	cif/ Adding structures of 7054768, 7054769 via cif-deposit CGI script.	7054769.cif