Crystallography Open Database

Information card for entry 1519489

1519488 << 1519489 >> 1519490

Preview

Coordinates	1519489.cif

Structure parameters

Formula	C29 H45 F3 N O2 P Pd
Calculated formula	C29 H45 F3 N O2 P Pd
SMILES	C[N]1(C)Cc2ccccc2[Pd]1(OC(=O)C(F)(F)F)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
Title of publication	(Tricyclohexylphosphine)-(trifluoroacetato-O)-(2-((dimethylamino)methyl) phenyl-C,N)-palladium
Authors of publication	Cazin, C. S. J.; Bedford, R. B.; Hursthouse, Michael B.; Gelbrich, Thomas; Horton, Peter N.; Light, Mark E.; Coles, Simon J.
Journal of publication	Crystal Structure Report Archive
Year of publication	2002
Pages of publication	37
a	14.7341 ± 0.0002 Å
b	11.2352 ± 0.0002 Å
c	19.3377 ± 0.0003 Å
α	90°
β	111.878 ± 0.001°
γ	90°
Cell volume	2970.62 ± 0.08 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0322
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0714
Weighted residual factors for all reflections included in the refinement	0.0745
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1519489.cif
136052	2015-05-11	cif/ Adding structures of 1519489 via cif-deposit CGI script.	1519489.cif