Crystallography Open Database

Information card for entry 1503880

Preview

Coordinates	1503880.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PdCl2(t-Bu-MiniPHOS)2
Formula	C22 H52 Br2 P4 Pd2
Calculated formula	C22 H52 Br2 P4 Pd2
SMILES	[Pd]12([Pd](Br)([P@](C[P@@]1(C(C)(C)C)C)(C(C)(C)C)C)[P@@](C[P@]2(C)C(C)(C)C)(C)C(C)(C)C)Br
Title of publication	Optically active dinuclear palladium complexes containing a Pd-Pd bond: preparation and enantioinduction ability in asymmetric ring-opening reactions.
Authors of publication	Ogura, Tomokazu; Yoshida, Kazuhiro; Yanagisawa, Akira; Imamoto, Tsuneo
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	11
Pages of publication	2245 - 2248
a	18.1731 ± 0.0011 Å
b	10.7733 ± 0.0006 Å
c	17.5878 ± 0.001 Å
α	90°
β	93.105 ± 0.001°
γ	90°
Cell volume	3438.4 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1557
Weighted residual factors for all reflections included in the refinement	0.1569
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1503880.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503880.cif
39168	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1503880 via cif-deposit CGI script.	1503880.cif