Crystallography Open Database

Information card for entry 4336431

Preview

Structure parameters

Formula	C67.84 H65.68 Cl4 Fe P4 Pd
Calculated formula	C67.84 H65.68 Cl4 Fe P4 Pd
Title of publication	Kinetic and Electrochemical Studies of the Oxidative Addition of Demanding Organic Halides to Pd(0): the Efficiency of Polyphosphane Ligands in Low Palladium Loading Cross-Couplings Decrypted
Authors of publication	Veronika A. Zinovyeva; Sophal Mom; Sophie Fournier; Charles H. Devillers; Hélène Cattey; Henri Doucet; Jean-Cyrille Hierso; Dominique Lucas
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	11923 - 11933
a	14.3917 ± 0.0004 Å
b	20.0428 ± 0.0006 Å
c	25.2108 ± 0.0006 Å
α	90°
β	120.253 ± 0.001°
γ	90°
Cell volume	6281.7 ± 0.3 Å³
Cell temperature	115 ± 2 K
Ambient diffraction temperature	115 ± 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	0.0675
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.1399
Weighted residual factors for all reflections included in the refinement	0.1424
Goodness-of-fit parameter for all reflections included in the refinement	1.196
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4336431.cif
179467	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/64.	4336431.cif
102423	2014-02-20	cif/ Adding structures of 4336431 via cif-deposit CGI script.	4336431.cif