Crystallography Open Database

Information card for entry 7111360

Preview

Coordinates	7111360.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Dichloro((S)-(+)-2,2'-bis(dicyclohexylphosphino)-1,1'- binaphthyl)palladium
Formula	C44 H56 Cl2 P2 Pd
Calculated formula	C44 H56 Cl2 P2 Pd
SMILES	[Pd]1(Cl)(Cl)[P](c2c(c3ccccc3cc2)c2c([P]1(C1CCCCC1)C1CCCCC1)ccc1ccccc21)(C1CCCCC1)C1CCCCC1
Title of publication	A highly efficient asymmetric Suzuki?Miyaura coupling reaction catalyzed by cationic chiral palladium(ii) complexes
Authors of publication	Mikami, Koichi; Miyamoto, Takashi; Hatano, Manabu
Journal of publication	Chemical Communications
Year of publication	2004
Journal issue	18
Pages of publication	2082 - 2083
a	27.4346 ± 0.0009 Å
b	12.8063 ± 0.0009 Å
c	14.2675 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	5012.7 ± 0.5 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.095
Residual factor for significantly intense reflections	0.0916
Weighted residual factors for significantly intense reflections	0.2671
Weighted residual factors for all reflections included in the refinement	0.272
Goodness-of-fit parameter for all reflections included in the refinement	1.187
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180227 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/13.	7111360.cif
96456	2014-01-29	cif/ Adding structures of 7111360 via cif-deposit CGI script.	7111360.cif