Crystallography Open Database

Information card for entry 7021129

Preview

Coordinates	7021129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51.5 H76 Cl3 N2 P Pd
Calculated formula	C51.5 H75 Cl3 N2 P Pd
Title of publication	Mixed phosphine/N-heterocyclic carbene palladium complexes: synthesis, characterization and catalytic use in aqueous Suzuki-Miyaura reactions.
Authors of publication	Schmid, Thibault E.; Jones, Dale C.; Songis, Olivier; Diebolt, Olivier; Furst, Marc R. L.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	20
Pages of publication	7345 - 7353
a	13.854 ± 0.003 Å
b	16.741 ± 0.004 Å
c	21.852 ± 0.004 Å
α	93.602 ± 0.005°
β	91.002 ± 0.006°
γ	92.724 ± 0.007°
Cell volume	5051.3 ± 1.9 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.136
Residual factor for significantly intense reflections	0.0966
Weighted residual factors for significantly intense reflections	0.2788
Weighted residual factors for all reflections included in the refinement	0.368
Goodness-of-fit parameter for all reflections included in the refinement	1.34
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7021129.cif
86040	2013-05-09	cif/ Adding structures of 7021126, 7021127, 7021128, 7021129, 7021130, 7021131, 7021132, 7021133, 7021134 via cif-deposit CGI script.	7021129.cif