Crystallography Open Database

Information card for entry 7008459

Preview

Coordinates	7008459.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H48 F5 N3 O6 Pd
Calculated formula	C30 H48 F5 N3 O6 Pd
SMILES	[Pd](N1C(=O)CCC1=O)(c1c(c(c(c(c1F)F)F)F)F)(N1C(=O)CCC1=O)[OH2].C(CCC)[N+](CCCC)(CCCC)CCCC.O
Title of publication	Pentafluorophenyl imidato palladium(II) complexes: catalysts for Suzuki cross-coupling reactions.
Authors of publication	Ruiz, José; Vicente, Consuelo; Cutillas, Natalia; Pérez, José
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2005
Journal issue	11
Pages of publication	1999 - 2006
a	10.3563 ± 0.0005 Å
b	41.962 ± 0.0018 Å
c	24.423 ± 0.0011 Å
α	90°
β	97.77 ± 0.01°
γ	90°
Cell volume	10516.1 ± 0.9 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	0.0892
Residual factor for significantly intense reflections	0.0853
Weighted residual factors for significantly intense reflections	0.1775
Weighted residual factors for all reflections included in the refinement	0.1796
Goodness-of-fit parameter for all reflections included in the refinement	1.277
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
179788 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/84.	7008459.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008459.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008459.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7008459.cif