Crystallography Open Database

Information card for entry 4308840

Preview

Coordinates	4308840.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H46 Cl4 N4 P2 Pd
Calculated formula	C35 H46 Cl4 N4 P2 Pd
SMILES	[Pd]1(Cl)(Cl)[P](CC[P]1(c1ccccc1N(C)C)c1ccccc1N(C)C)(c1ccccc1N(C)C)c1ccccc1N(C)C.ClCCl
Title of publication	Platinum(II) and Palladium(II) Complexes of Bisphosphine Ligands Bearing o-N,N-Dimethylanilinyl Substituents: A Hint of Catalytic Olefin Hydration
Authors of publication	Nathan D. Jones; Patric Meessen; Udo Losehand; Brian O. Patrick; Brian R. James
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	3290 - 3298
a	12.301 ± 0.0003 Å
b	11.8069 ± 0.0003 Å
c	12.9733 ± 0.0004 Å
α	90°
β	94.607 ± 0.002°
γ	90°
Cell volume	1878.11 ± 0.09 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	0.0407
Residual factor for significantly intense reflections	0.022
Weighted residual factors for all reflections	0.0624
Weighted residual factors for all reflections included in the refinement	0.0624
Goodness-of-fit parameter for all reflections	1.085
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4308840.cif
129439	2015-01-07	cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ \| codid2file \ \| xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'\|\\?\|none)/_exptl_crystal_density_method ./i"	4308840.cif
120081	2014-07-11	Adding DOIs to range 4/30 structures.	4308840.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308840.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308840.cif