Crystallography Open Database

Information card for entry 4304243

Preview

Coordinates	4304243.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H54 Cl6 F2 P2 Pd
Calculated formula	C29 H54 Cl6 F2 P2 Pd
SMILES	[Pd]1([P](CC[P]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1)(F)F.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
Title of publication	Xenon Difluoride Induced Aryl Iodide Reductive Elimination: a Simple Access to Difluoropalladium(II) Complexes
Authors of publication	Ariela W. Kaspi; Anette Yahav-Levi; Israel Goldberg; Arkadi Vigalok
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	5 - 7
a	12.3484 ± 0.0001 Å
b	14.2086 ± 0.0001 Å
c	21.0151 ± 0.0003 Å
α	90°
β	103.303 ± 0.0004°
γ	90°
Cell volume	3588.23 ± 0.06 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.0466
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0902
Weighted residual factors for all reflections included in the refinement	0.0978
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
179080 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/42.	4304243.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4304243.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4304243.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4304243.cif