Crystallography Open Database

Information card for entry 4068960

Preview

Coordinates	4068960.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	C38 H43 Cl2 N3 O2 P2 Pd, 1.4 CH2Cl2
Formula	C39.4 H43 Cl4.8 N3 O2 P2 Pd
Calculated formula	C39.4 H43 Cl4.8 N3 O2 P2 Pd
Title of publication	Diphosphination of Electron Poor Alkenes
Authors of publication	Hajdók, Imre; Lissner, Falk; Nieger, Martin; Strobel, Sabine; Gudat, Dietrich
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	6
Pages of publication	1644
a	31.8659 ± 0.0007 Å
b	15.3565 ± 0.0004 Å
c	20.4915 ± 0.0004 Å
α	90°
β	124.458 ± 0.001°
γ	90°
Cell volume	8268.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0768
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1057
Weighted residual factors for all reflections included in the refinement	0.1138
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
178579 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/89.	4068960.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068960.cif
40062	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068960 via cif-deposit CGI script.	4068960.cif