Crystallography Open Database

Information card for entry 1519329

1519328 << 1519329 >> 1519330

Preview

Coordinates	1519329.cif

Structure parameters

Formula	C33 H25 F3 N O2 P Pd
Calculated formula	C33 H25 F3 N O2 P Pd
SMILES	[Pd]1(c2c(C=[N]1c1ccccc1)cccc2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)OC(=O)C(F)(F)F
Title of publication	(2-(Phenyliminomethyl)phenyl)-(trifluoroacetato)-(triphenylphosphine)- palladium
Authors of publication	Scordia, V. J. M.; Hursthouse, Michael B.; Gelbrich, Thomas; Coles, Simon J.; Cazin, C. S. J.; Bedford, R. B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2001
Pages of publication	73
a	9.911 ± 0.002 Å
b	29.932 ± 0.006 Å
c	9.907 ± 0.002 Å
α	90°
β	104.2 ± 0.03°
γ	90°
Cell volume	2849.2 ± 1.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0493
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1154
Weighted residual factors for all reflections included in the refinement	0.1188
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519329.cif
135680	2015-05-07	cif/ Adding structures of 1519329 via cif-deposit CGI script.	1519329.cif