Crystallography Open Database

Information card for entry 2236761

Preview

Coordinates	2236761.cif
Original IUCr paper	HTML

Structure parameters

Formula	C42 H66 Cl2 P2 Pd
Calculated formula	C42 H66 Cl2 P2 Pd
SMILES	c1(c(cc(cc1C)C)C)[P](C1CCCCC1)(C1CCCCC1)[Pd](Cl)([P](c1c(cc(cc1C)C)C)(C1CCCCC1)C1CCCCC1)Cl
Title of publication	<i>trans</i>-Dichloridobis[dicyclohexyl(2,4,6-trimethylphenyl)phosphane-κ<i>P</i>]palladium(II)
Authors of publication	Buthelezi, Isaac; Chiririwa, Haleden; Ogutu, Hezron; Meijboom, Reinout
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	11
Pages of publication	m1330 - m1331
a	9.466 ± 0.005 Å
b	10.625 ± 0.005 Å
c	11.527 ± 0.005 Å
α	63.932 ± 0.005°
β	84.5 ± 0.005°
γ	75.874 ± 0.005°
Cell volume	1009.8 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1016
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for all reflections included in the refinement	0.1652
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2236761.cif
120072	2014-07-11	Adding DOIs to range 2 structures.	2236761.cif
70370	2012-12-21	cif/ Adding structures of 2236761 via cif-deposit CGI script.	2236761.cif