Crystallography Open Database

Information card for entry 7021134

Preview

Coordinates	7021134.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H70 Cl4 O4 P2 Pd2
Calculated formula	C52 H70 Cl4 O4 P2 Pd2
SMILES	C1(CCCCC1)[P](C1CCCCC1)(c1c(cccc1)c1c(cccc1OC)OC)[Pd]1([Cl][Pd]([P](C2CCCCC2)(C2CCCCC2)c2c(cccc2)c2c(cccc2OC)OC)([Cl]1)Cl)Cl
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	9.39 ± 0.01 Å
b	10.444 ± 0.011 Å
c	13.796 ± 0.015 Å
α	103.695 ± 0.014°
β	103.287 ± 0.016°
γ	96.525 ± 0.01°
Cell volume	1259 ± 2 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 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 significantly intense reflections	0.1309
Weighted residual factors for all reflections included in the refinement	0.3519
Goodness-of-fit parameter for all reflections included in the refinement	1.404
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179916 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/11.	7021134.cif
86040	2013-05-09	cif/ Adding structures of 7021126, 7021127, 7021128, 7021129, 7021130, 7021131, 7021132, 7021133, 7021134 via cif-deposit CGI script.	7021134.cif