Crystallography Open Database

Information card for entry 1519343

1519342 << 1519343 >> 1519344

Preview

Coordinates	1519343.cif

Structure parameters

Formula	C24 H24 F6 N2 O4 Pd2
Calculated formula	C24 H24 F6 N2 O4 Pd2
SMILES	[Pd]12([O]=C(C(F)(F)F)O[Pd]3([O]=C(O1)C(F)(F)F)[N](=Cc1c3cccc1)C(C)C)[N](=Cc1ccccc21)C(C)C
Title of publication	bis(I(1/4)2-Trifluoroacetato-O,O')-bis(2-((isopropylimino)methyl)phenyl-C,N) -di-palladium
Authors of publication	Light, Mark E.; Hursthouse, Michael B.; Gelbrich, Thomas; Horton, Peter N.; Coles, Simon J.; Cazin, C. S. J.; Bedford, R. B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2001
Pages of publication	126
a	11.0425 ± 0.0002 Å
b	15.4028 ± 0.0003 Å
c	16.0274 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2726.03 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0343
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0671
Weighted residual factors for all reflections included in the refinement	0.0688
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
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.	1519343.cif
135694	2015-05-07	cif/ Adding structures of 1519343 via cif-deposit CGI script.	1519343.cif