Crystallography Open Database

Information card for entry 7007794

Preview

Coordinates	7007794.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H47 Cl2 Fe N O10 P2 Pd Si
Calculated formula	C48 H45 Cl2 Fe N O10 P2 Pd Si
SMILES	[Pd]12([Fe]([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([Si]([O]2C)(OC)OC)(C#[O])(C#[O])C#[O])/C(=C(/C(=O)OC)Cc1cccc2c1nccc2)C(=O)OC.C(Cl)Cl
Title of publication	Insertion reactions of alkynes and organic isocyanides into the palladium-carbon bond of dimetallic Fe-Pd alkoxysilyl complexes.
Authors of publication	Knorr, Michael; Jourdain, Isabelle; Braunstein, Pierre; Strohmann, Carsten; Tiripicchio, Antonio; Ugozzoli, Franco
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	44
Pages of publication	5248 - 5258
a	23.378 ± 0.003 Å
b	21.533 ± 0.003 Å
c	20.077 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	10107 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	9
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1857
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1202
Weighted residual factors for all reflections included in the refinement	0.1338
Goodness-of-fit parameter for all reflections included in the refinement	0.645
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179781 (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 7/00/77.	7007794.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7007794.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7007794.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7007794.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7007794.cif