Crystallography Open Database

Information card for entry 4068533

Preview

Coordinates	4068533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 Cl4 O2 P2 Pd
Calculated formula	C30 H30 Cl4 O2 P2 Pd
SMILES	[Pd]1(Cl)(Cl)[P](c2ccccc2)(c2ccccc2)[C@@H](CC(=O)OC)C[P]1(c1ccccc1)c1ccccc1.C(Cl)Cl
Title of publication	Asymmetric Synthesis of Functionalized 1,2-Diphosphine via the Chemoselective Hydrophosphination of Coordinated Allylic Phosphines
Authors of publication	Yuan, Mingjun; Pullarkat, Sumod A.; Ma, Mengtao; Zhang, Yi; Huang, Yinhua; Li, Yongxin; Goel, Akash; Leung, Pak-Hing
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	3
Pages of publication	780
a	9.6992 ± 0.0003 Å
b	15.181 ± 0.0005 Å
c	10.9048 ± 0.0003 Å
α	90°
β	103.784 ± 0.001°
γ	90°
Cell volume	1559.42 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0285
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0693
Weighted residual factors for all reflections included in the refinement	0.075
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
178575 (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 4/06/85.	4068533.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068533.cif
39840	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068533 via cif-deposit CGI script.	4068533.cif